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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-3-29-27(34)24-19-31(17-21-8-5-4-6-9-21)20-25(26(24)33)28(35)32-14-12-30(13-15-32)18-22-10-7-11-23(16-22)36-2/h4-11,16,19-20H,3,12-15,17-18H2,1-2H3,(H,29,34)/p+1