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

Systemtic Name: N3-cyclohexyl-1-cyclopropyl-4-oxidanylidene-N5-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Openeye Name: N3-cyclohexyl-1-cyclopropyl-4-oxo-N5-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N3-cyclohexyl-1-cyclopropyl-4-oxo-N5-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclohexyl-1-cyclopropyl-4-oxo-5-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyridine-3,5-dicarboxamide Traditional Name: N-cyclohexyl-1-cyclopropyl-4-keto-N'-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]dinicotinamide Formula: C29H39N4O3+ MolecularWeight: 491.64496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC[NH+]3CCC(CC3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC[NH+]3CCC(CC3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C29H38N4O3/c34-27-25(19-33(24-11-12-24)20-26(27)29(36)31-23-9-5-2-6-10-23)28(35)30-15-18-32-16-13-22(14-17-32)21-7-3-1-4-8-21/h1,3-4,7-8,19-20,22-24H,2,5-6,9-18H2,(H,30,35)(H,31,36)/p+1