3-acetyloxy-4-[dimethyl(pyridin-3-ylcarbonylcarbamoyl)azaniumyl]butanoate

Systemtic Name: 3-acetyloxy-4-[dimethyl(pyridin-3-ylcarbonylcarbamoyl)azaniumyl]butanoate Openeye Name: 3-acetoxy-4-[dimethyl(pyridine-3-carbonylcarbamoyl)ammonio]butanoate CAS Name: 3-acetyloxy-4-[dimethyl-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]ammonio]butanoate IUPAC Name: 3-acetyloxy-4-[dimethyl(pyridine-3-carbonylcarbamoyl)azaniumyl]butanoate Traditional Name: 3-acetoxy-4-[dimethyl(nicotinoylcarbamoyl)ammonio]butyrate Formula: C15H19N3O6 MolecularWeight: 337.32786

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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)