[1-[(1-cyanocyclopentyl)amino]-1-oxidanylidene-3-(1,4,4-trimethylcyclohexyl)propan-2-yl]-[3-(dimethylamino)propyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium

Systemtic Name: [1-[(1-cyanocyclopentyl)amino]-1-oxidanylidene-3-(1,4,4-trimethylcyclohexyl)propan-2-yl]-[3-(dimethylamino)propyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-1-[(1,4,4-trimethylcyclohexyl)methyl]ethyl]-[3-(dimethylamino)propyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: [1-[(1-cyanocyclopentyl)amino]-1-oxo-3-(1,4,4-trimethylcyclohexyl)propan-2-yl]-[3-(dimethylamino)propyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: [1-[(1-cyanocyclopentyl)amino]-1-oxo-3-(1,4,4-trimethylcyclohexyl)propan-2-yl]-[3-(dimethylamino)propyl]-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: [2-[(1-cyanocyclopentyl)amino]-2-keto-1-[(1,4,4-trimethylcyclohexyl)methyl]ethyl]-[3-(dimethylamino)propyl]-(2-keto-1H-quinazolin-4-ylidene)ammonium Formula: C31H47N6O2+ MolecularWeight: 535.74388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)(C)CC(C(=O)NC2(CCCC2)C#N)[N+](=C3C4=CC=CC=C4NC(=O)N3)CCCN(C)C)C

Isomeric SMILES

CC1(CCC(CC1)(C)CC(C(=O)NC2(CCCC2)C#N)[N+](=C3C4=CC=CC=C4NC(=O)N3)CCCN(C)C)C

InChI

InChI=1S/C31H46N6O2/c1-29(2)15-17-30(3,18-16-29)21-25(27(38)35-31(22-32)13-8-9-14-31)37(20-10-19-36(4)5)26-23-11-6-7-12-24(23)33-28(39)34-26/h6-7,11-12,25H,8-10,13-21H2,1-5H3,(H2,33,34,35,38,39)/p+1