1-(2-methylpropyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-piperidin-1-ylcarbonyl-pyridine-3-carboxamide

Systemtic Name: 1-(2-methylpropyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-piperidin-1-ylcarbonyl-pyridine-3-carboxamide Openeye Name: 1-isobutyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide CAS Name: 1-(2-methylpropyl)-4-oxo-5-[oxo(1-piperidinyl)methyl]-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 1-(2-methylpropyl)-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide Traditional Name: 1-isobutyl-4-keto-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-(piperidine-1-carbonyl)nicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCC2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCC2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C29H40N4O3/c1-22(2)19-31-20-24(27(34)25(21-31)29(36)33-16-10-5-11-17-33)28(35)30-18-26(23-12-6-3-7-13-23)32-14-8-4-9-15-32/h3,6-7,12-13,20-22,26H,4-5,8-11,14-19H2,1-2H3,(H,30,35)/p+1/t26-/m0/s1