3-(6-ethoxy-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate

Systemtic Name: 3-(6-ethoxy-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate Openeye Name: 3-(6-ethoxy-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate CAS Name: 3-[(6-ethoxy-2-methyl-4-quinolin-1-iumyl)thio]propanoate IUPAC Name: 3-(6-ethoxy-2-methylquinolin-1-ium-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-ethoxy-2-methyl-quinolin-1-ium-4-yl)thio]propionate Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C=C2SCCC(=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C=C2SCCC(=O)[O-])C

InChI

InChI=1S/C15H17NO3S/c1-3-19-11-4-5-13-12(9-11)14(8-10(2)16-13)20-7-6-15(17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)