A8N
Summary
| Name: | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE |
| Synonyms: | (9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM |
| Formula: | C21 H33 N3 |
| Formal charge: | 2 |
| Formula weight: | 327.507 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-[(8-ammoniooctyl)amino]-1,2,3,4-tetrahydroacridinium |
| OpenEye OEToolkits | 1.5.0 | 8-(1,2,3,4-tetrahydroacridin-10-ium-9-ylamino)octylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c2c1c(c3c([nH+]c1ccc2)CCCC3)NCCCCCCCC[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]CCCCCCCCNc1c2CCCCc2[nH+]c3ccccc13 |
| SMILES | CACTVS | 3.341 | [NH3+]CCCCCCCCNc1c2CCCCc2[nH+]c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2 |
| InChIKey | InChI | 1.03 | LFBAUYQQFKFFCF-UHFFFAOYSA-P |
