3-(2,3,6-trimethylquinolin-1-ium-4-yl)propanoate

Systemtic Name: 3-(2,3,6-trimethylquinolin-1-ium-4-yl)propanoate Openeye Name: 3-(2,3,6-trimethylquinolin-1-ium-4-yl)propanoate CAS Name: 3-(2,3,6-trimethyl-4-quinolin-1-iumyl)propanoate IUPAC Name: 3-(2,3,6-trimethylquinolin-1-ium-4-yl)propanoate Traditional Name: 3-(2,3,6-trimethylquinolin-1-ium-4-yl)propionate Formula: C15H17NO2 MolecularWeight: 243.30098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C([NH+]=C2C=C1)C)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C([NH+]=C2C=C1)C)C)CCC(=O)[O-]

InChI

InChI=1S/C15H17NO2/c1-9-4-6-14-13(8-9)12(5-7-15(17)18)10(2)11(3)16-14/h4,6,8H,5,7H2,1-3H3,(H,17,18)