N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: 2-(5-keto-1,4-diazepan-1-ium-1-yl)-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(=O)NCC2)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(=O)NCC2)N3CCCC3

InChI

InChI=1S/C18H26N4O2/c1-14-12-15(4-5-16(14)22-8-2-3-9-22)20-18(24)13-21-10-6-17(23)19-7-11-21/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,23)(H,20,24)/p+1