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

Systemtic Name: 3-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate Openeye Name: 3-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate CAS Name: 3-[(6-methoxy-2-methyl-4-quinolin-1-iumyl)thio]propanoate IUPAC Name: 3-(6-methoxy-2-methylquinolin-1-ium-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-methoxy-2-methyl-quinolin-1-ium-4-yl)thio]propionate Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)SCCC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)SCCC(=O)[O-]

InChI

InChI=1S/C14H15NO3S/c1-9-7-13(19-6-5-14(16)17)11-8-10(18-2)3-4-12(11)15-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)