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

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-4-oxo-1-phenethyl-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethylpyridine-3-carboxamide Traditional Name: 4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)-N-methyl-1-phenethyl-nicotinamide Formula: C28H33N4O4+ MolecularWeight: 489.58602

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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)OC)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-29-27(34)24-19-31(12-11-21-7-4-3-5-8-21)20-25(26(24)33)28(35)32-15-13-30(14-16-32)18-22-9-6-10-23(17-22)36-2/h3-10,17,19-20H,11-16,18H2,1-2H3,(H,29,34)/p+1