(2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-(pyridin-3-ylcarbonylcarbamoyl)azanium

Systemtic Name: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-(pyridin-3-ylcarbonylcarbamoyl)azanium Openeye Name: (2-acetoxy-4-hydroxy-4-oxo-butyl)-dimethyl-(pyridine-3-carbonylcarbamoyl)ammonium CAS Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-dimethyl-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]ammonium IUPAC Name: (2-acetyloxy-4-hydroxy-4-oxobutyl)-dimethyl-(pyridine-3-carbonylcarbamoyl)azanium Traditional Name: (2-acetoxy-4-hydroxy-4-keto-butyl)-dimethyl-(nicotinoylcarbamoyl)ammonium Formula: C15H20N3O6+ MolecularWeight: 338.3358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NC(=O)C1=CN=CC=C1

Isomeric SMILES

CC(=O)OC(CC(=O)O)C[N+](C)(C)C(=O)NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C15H19N3O6/c1-10(19)24-12(7-13(20)21)9-18(2,3)15(23)17-14(22)11-5-4-6-16-8-11/h4-6,8,12H,7,9H2,1-3H3,(H-,17,20,21,22,23)/p+1