2-[3-[[2-(3-oxidanylidenecyclohexyl)propylamino]carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide bromide

Systemtic Name: 2-[3-[[2-(3-oxidanylidenecyclohexyl)propylamino]carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide bromide Openeye Name: 2-[3-[[2-(3-oxocyclohexyl)propylamino]carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide bromide CAS Name: 2-[3-[oxo-[2-(3-oxocyclohexyl)propylhydrazo]methyl]-1-pyridin-1-iumyl]-N-phenylacetamide bromide IUPAC Name: 2-[3-[[2-(3-oxocyclohexyl)propylamino]carbamoyl]pyridin-1-ium-1-yl]-N-phenylacetamide bromide Traditional Name: 2-[3-[[2-(3-ketocyclohexyl)propylamino]carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide bromide Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNNC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2)C3CCCC(=O)C3.[Br-]

Isomeric SMILES

CC(CNNC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2)C3CCCC(=O)C3.[Br-]

InChI

InChI=1S/C23H28N4O3.BrH/c1-17(18-7-5-11-21(28)13-18)14-24-26-23(30)19-8-6-12-27(15-19)16-22(29)25-20-9-3-2-4-10-20;/h2-4,6,8-10,12,15,17-18,24H,5,7,11,13-14,16H2,1H3,(H-,25,26,29,30);1H