1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide

Systemtic Name: 1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Openeye Name: 1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide CAS Name: 1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide IUPAC Name: 1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Traditional Name: 2-keto-1-methyl-N-[1-(5-methylhexyl)cyclopentyl]-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Formula: C29H38N3O2+ MolecularWeight: 460.63092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)CCCCC1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C29H37N3O2/c1-22(2)13-9-10-18-29(19-11-12-20-29)31-28(34)32(3)25-17-8-7-16-24(25)27(30-21-26(32)33)23-14-5-4-6-15-23/h4-8,14-17,22H,9-13,18-21H2,1-3H3/p+1