N3-tert-butyl-1-cyclohexyl-4-oxidanylidene-N5-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide

Systemtic Name: N3-tert-butyl-1-cyclohexyl-4-oxidanylidene-N5-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N5-(1-benzylpiperidin-1-ium-4-yl)-N3-tert-butyl-1-cyclohexyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N3-tert-butyl-1-cyclohexyl-4-oxo-N5-[1-(phenylmethyl)-4-piperidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(1-benzylpiperidin-1-ium-4-yl)-3-N-tert-butyl-1-cyclohexyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N'-(1-benzylpiperidin-1-ium-4-yl)-N-tert-butyl-1-cyclohexyl-4-keto-dinicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C29H40N4O3/c1-29(2,3)31-28(36)25-20-33(23-12-8-5-9-13-23)19-24(26(25)34)27(35)30-22-14-16-32(17-15-22)18-21-10-6-4-7-11-21/h4,6-7,10-11,19-20,22-23H,5,8-9,12-18H2,1-3H3,(H,30,35)(H,31,36)/p+1