5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide

Systemtic Name: 5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: 5-[[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-4-oxo-1-phenethyl-3-pyridinecarboxamide IUPAC Name: 5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethylpyridine-3-carboxamide Traditional Name: 4-keto-N-methyl-5-(4-o-anisylpiperazin-4-ium-1-carbonyl)-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=C3OC)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)CCC4=CC=CC=C4

InChI

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