SN8
Summary
| Name: | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM |
| Synonyms: | SN8315 |
| Formula: | C30 H47 N5 O |
| Formal charge: | 0 |
| Formula weight: | 493.727 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide |
| OpenEye OEToolkits | 1.5.0 | 4-[(1,6-dimethyl-2H-quinolin-4-yl)amino]-N-[4-[(1-methylpiperidin-4-yl)amino]cyclohexyl]cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CCC(CC1)N[C@@H]2CC[C@@H](CC2)NC(=O)[C@@H]3CC[C@H](CC3)NC4=CCN(C)c5ccc(C)cc45 |
| SMILES | CACTVS | 3.341 | CN1CCC(CC1)N[CH]2CC[CH](CC2)NC(=O)[CH]3CC[CH](CC3)NC4=CCN(C)c5ccc(C)cc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C |
| InChI | InChI | 1.03 | InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+ |
| InChIKey | InChI | 1.03 | VJDMGOLLSXKCPI-DHBIPOTOSA-N |
