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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)NC(C)C

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)NC(C)C

InChI

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