N5-methyl-1-(3-methylbutyl)-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide

Systemtic Name: N5-methyl-1-(3-methylbutyl)-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-(1-benzylpiperidin-1-ium-4-yl)-1-isopentyl-N5-methyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-methyl-1-(3-methylbutyl)-4-oxo-N3-[1-(phenylmethyl)-4-piperidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-(1-benzylpiperidin-1-ium-4-yl)-5-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-isoamyl-4-keto-N'-methyl-dinicotinamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C25H34N4O3/c1-18(2)9-12-29-16-21(24(31)26-3)23(30)22(17-29)25(32)27-20-10-13-28(14-11-20)15-19-7-5-4-6-8-19/h4-8,16-18,20H,9-15H2,1-3H3,(H,26,31)(H,27,32)/p+1