[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=[N+](C=C1)[O-]

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C13H18N2O4/c1-10(2)3-6-14-12(16)9-19-13(17)11-4-7-15(18)8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,16)