N-methyl-4-oxidanylidene-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: N-methyl-4-oxo-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-4-keto-N-methyl-1-(3-phenylpropyl)nicotinamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-29-27(34)24-20-31(14-8-13-22-9-4-2-5-10-22)21-25(26(24)33)28(35)32-17-15-30(16-18-32)19-23-11-6-3-7-12-23/h2-7,9-12,20-21H,8,13-19H2,1H3,(H,29,34)/p+1