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

Systemtic Name: N-ethyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-ethyl-1-isobutyl-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]-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: N-ethyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: N-ethyl-1-isobutyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)nicotinamide Formula: C25H35N4O4+ MolecularWeight: 455.5698

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4/c1-5-26-24(31)21-16-28(14-18(2)3)17-22(23(21)30)25(32)29-11-9-27(10-12-29)15-19-7-6-8-20(13-19)33-4/h6-8,13,16-18H,5,9-12,14-15H2,1-4H3,(H,26,31)/p+1