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

Systemtic Name: N5-ethyl-4-oxidanylidene-1-(phenylmethyl)-N3-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Openeye Name: 1-benzyl-N5-ethyl-4-oxo-N3-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N5-ethyl-4-oxo-1-(phenylmethyl)-N3-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 1-benzyl-5-N-ethyl-4-oxo-3-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Traditional Name: 1-benzyl-N'-ethyl-4-keto-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]dinicotinamide Formula: C29H35N4O3+ MolecularWeight: 487.6132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O3/c1-2-30-28(35)25-20-33(19-22-9-5-3-6-10-22)21-26(27(25)34)29(36)31-15-18-32-16-13-24(14-17-32)23-11-7-4-8-12-23/h3-12,20-21,24H,2,13-19H2,1H3,(H,30,35)(H,31,36)/p+1