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

Systemtic Name: N5-methyl-4-oxidanylidene-1-phenethyl-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-(1-benzylpiperidin-1-ium-4-yl)-N5-methyl-4-oxo-1-phenethyl-pyridine-3,5-dicarboxamide CAS Name: N5-methyl-4-oxo-1-phenethyl-N3-[1-(phenylmethyl)-4-piperidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-(1-benzylpiperidin-1-ium-4-yl)-5-N-methyl-4-oxo-1-phenethylpyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-N'-methyl-1-phenethyl-dinicotinamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-29-27(34)24-19-32(15-12-21-8-4-2-5-9-21)20-25(26(24)33)28(35)30-23-13-16-31(17-14-23)18-22-10-6-3-7-11-22/h2-11,19-20,23H,12-18H2,1H3,(H,29,34)(H,30,35)/p+1