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

Systemtic Name: N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-(1-benzylpiperidin-1-ium-4-yl)-N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(cyclohexylmethyl)-1-cyclopropyl-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-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-N'-(cyclohexylmethyl)-1-cyclopropyl-4-keto-dinicotinamide Formula: C29H39N4O3+ MolecularWeight: 491.64496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C29H38N4O3/c34-27-25(28(35)30-17-21-7-3-1-4-8-21)19-33(24-11-12-24)20-26(27)29(36)31-23-13-15-32(16-14-23)18-22-9-5-2-6-10-22/h2,5-6,9-10,19-21,23-24H,1,3-4,7-8,11-18H2,(H,30,35)(H,31,36)/p+1