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

Systemtic Name: N-butyl-5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: N-butyl-1-isopropyl-5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-butyl-5-[[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-butyl-5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: N-butyl-1-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:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(C)C

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(C)C

InChI

InChI=1S/C26H36N4O4/c1-5-6-11-27-25(32)21-17-30(19(2)3)18-22(24(21)31)26(33)29-14-12-28(13-15-29)16-20-9-7-8-10-23(20)34-4/h7-10,17-19H,5-6,11-16H2,1-4H3,(H,27,32)/p+1