HUN
Summary
Name: | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium |
Formula: | C24 H38 N3 O |
Formal charge: | 1 |
Formula weight: | 384.578 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1 |
InChIKey | InChI | 1.03 | LDOSYPMIOHKIEJ-QHCPKHFHSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3 |
SMILES | CACTVS | 3.385 | CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCC[NH2+]C(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 |