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

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-1-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-isopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: 1-isoamyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)-N-methyl-nicotinamide Formula: C25H35N4O4+ MolecularWeight: 455.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C(=O)NC

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C(=O)NC

InChI

InChI=1S/C25H34N4O4/c1-18(2)8-9-28-16-21(24(31)26-3)23(30)22(17-28)25(32)29-12-10-27(11-13-29)15-19-6-5-7-20(14-19)33-4/h5-7,14,16-18H,8-13,15H2,1-4H3,(H,26,31)/p+1