N-[2-oxidanylidene-2-[[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonylcyclohexyl]methylamino]ethyl]benzamide

Systemtic Name: N-[2-oxidanylidene-2-[[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonylcyclohexyl]methylamino]ethyl]benzamide Openeye Name: N-[2-oxo-2-[[4-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]cyclohexyl]methylamino]ethyl]benzamide CAS Name: N-[2-oxo-2-[[4-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]cyclohexyl]methylamino]ethyl]benzamide IUPAC Name: N-[2-oxo-2-[[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]cyclohexyl]methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[4-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]cyclohexyl]methylamino]ethyl]benzamide Formula: C28H38N5O3+ MolecularWeight: 492.63302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CNC(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(CCC1CNC(=O)CNC(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C28H37N5O3/c34-26(21-31-27(35)23-6-2-1-3-7-23)30-20-22-9-11-24(12-10-22)28(36)33-18-16-32(17-19-33)15-13-25-8-4-5-14-29-25/h1-8,14,22,24H,9-13,15-21H2,(H,30,34)(H,31,35)/p+1