N-(1-phenylpropan-2-yl)pyridine-3-carboxamide diphosphate

Systemtic Name: N-(1-phenylpropan-2-yl)pyridine-3-carboxamide diphosphate Openeye Name: N-(1-methyl-2-phenyl-ethyl)pyridine-3-carboxamide diphosphate CAS Name: N-(1-phenylpropan-2-yl)-3-pyridinecarboxamide diphosphate IUPAC Name: N-(1-phenylpropan-2-yl)pyridine-3-carboxamide diphosphate Traditional Name: N-(1-methyl-2-phenyl-ethyl)nicotinamide diphosphate Formula: C15H16N2O9P2-6 MolecularWeight: 430.243062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H16N2O.2H3O4P/c1-12(10-13-6-3-2-4-7-13)17-15(18)14-8-5-9-16-11-14;2*1-5(2,3)4/h2-9,11-12H,10H2,1H3,(H,17,18);2*(H3,1,2,3,4)/p-6