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

Systemtic Name: 5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-1-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-isopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: 1-isoamyl-4-keto-N-methyl-5-(4-o-anisylpiperazin-4-ium-1-carbonyl)nicotinamide Formula: C25H35N4O4+ MolecularWeight: 455.5698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)NC

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)C(=O)NC

InChI

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