4-[aminocarbonyl(dimethyl)azaniumyl]-3-pyridin-3-ylcarbonyloxy-butanoate

Systemtic Name: 4-[aminocarbonyl(dimethyl)azaniumyl]-3-pyridin-3-ylcarbonyloxy-butanoate Openeye Name: 4-[carbamoyl(dimethyl)ammonio]-3-(pyridine-3-carbonyloxy)butanoate CAS Name: 4-[carbamoyl(dimethyl)ammonio]-3-[oxo(3-pyridinyl)methoxy]butanoate IUPAC Name: 4-[carbamoyl(dimethyl)azaniumyl]-3-(pyridine-3-carbonyloxy)butanoate Traditional Name: 4-[carbamoyl(dimethyl)ammonio]-3-nicotinoyloxy-butyrate Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-16(2,13(14)20)8-10(6-11(17)18)21-12(19)9-4-3-5-15-7-9/h3-5,7,10H,6,8H2,1-2H3,(H2-,14,17,18,20)