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

Systemtic Name: N3-cyclohexyl-1-cyclopropyl-4-oxidanylidene-N5-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridine-3,5-dicarboxamide Openeye Name: N3-cyclohexyl-1-cyclopropyl-4-oxo-N5-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridine-3,5-dicarboxamide CAS Name: N3-cyclohexyl-1-cyclopropyl-4-oxo-N5-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclohexyl-1-cyclopropyl-4-oxo-5-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]pyridine-3,5-dicarboxamide Traditional Name: N-cyclohexyl-1-cyclopropyl-4-keto-N'-[(2R)-2-phenyl-2-piperidin-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(C3=CC=CC=C3)[NH+]4CCCCC4)C5CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4)C5CC5

InChI

InChI=1S/C29H38N4O3/c34-27-24(19-33(23-14-15-23)20-25(27)29(36)31-22-12-6-2-7-13-22)28(35)30-18-26(21-10-4-1-5-11-21)32-16-8-3-9-17-32/h1,4-5,10-11,19-20,22-23,26H,2-3,6-9,12-18H2,(H,30,35)(H,31,36)/p+1/t26-/m0/s1