3-(6-ethyl-2-methyl-quinolin-1-ium-4-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)[NH+]=C(C=C2CCC(=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)[NH+]=C(C=C2CCC(=O)[O-])C

InChI

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