N5-ethyl-1-(2-methylpropyl)-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide

Systemtic Name: N5-ethyl-1-(2-methylpropyl)-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-(1-benzylpiperidin-1-ium-4-yl)-N5-ethyl-1-isobutyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-ethyl-1-(2-methylpropyl)-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-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-N'-ethyl-1-isobutyl-4-keto-dinicotinamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C25H34N4O3/c1-4-26-24(31)21-16-29(14-18(2)3)17-22(23(21)30)25(32)27-20-10-12-28(13-11-20)15-19-8-6-5-7-9-19/h5-9,16-18,20H,4,10-15H2,1-3H3,(H,26,31)(H,27,32)/p+1