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

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: N-isobutyl-1-isopropyl-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-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: N-isobutyl-1-isopropyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)nicotinamide Formula: C26H37N4O4+ MolecularWeight: 469.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4/c1-18(2)14-27-25(32)22-16-30(19(3)4)17-23(24(22)31)26(33)29-11-9-28(10-12-29)15-20-7-6-8-21(13-20)34-5/h6-8,13,16-19H,9-12,14-15H2,1-5H3,(H,27,32)/p+1