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

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-isobutyl-N-isopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: N-isoamyl-1-isobutyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)nicotinamide Formula: C28H41N4O4+ MolecularWeight: 497.64954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O4/c1-20(2)9-10-29-27(34)24-18-31(16-21(3)4)19-25(26(24)33)28(35)32-13-11-30(12-14-32)17-22-7-6-8-23(15-22)36-5/h6-8,15,18-21H,9-14,16-17H2,1-5H3,(H,29,34)/p+1