3-(2,6-dimethyl-3-propyl-quinolin-1-ium-4-yl)sulfanylpropanoate

Systemtic Name: 3-(2,6-dimethyl-3-propyl-quinolin-1-ium-4-yl)sulfanylpropanoate Openeye Name: 3-(2,6-dimethyl-3-propyl-quinolin-1-ium-4-yl)sulfanylpropanoate CAS Name: 3-[(2,6-dimethyl-3-propyl-4-quinolin-1-iumyl)thio]propanoate IUPAC Name: 3-(2,6-dimethyl-3-propylquinolin-1-ium-4-yl)sulfanylpropanoate Traditional Name: 3-[(2,6-dimethyl-3-propyl-quinolin-1-ium-4-yl)thio]propionate Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)C)[NH+]=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)C)[NH+]=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C17H21NO2S/c1-4-5-13-12(3)18-15-7-6-11(2)10-14(15)17(13)21-9-8-16(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)