3-quinolin-1-ium-2-ylsulfanylpropanoate

Systemtic Name: 3-quinolin-1-ium-2-ylsulfanylpropanoate Openeye Name: 3-quinolin-1-ium-2-ylsulfanylpropanoate CAS Name: 3-(2-quinolin-1-iumylthio)propanoate IUPAC Name: 3-quinolin-1-ium-2-ylsulfanylpropanoate Traditional Name: 3-(quinolin-1-ium-2-ylthio)propionate Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCCC(=O)[O-]

InChI

InChI=1S/C12H11NO2S/c14-12(15)7-8-16-11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8H2,(H,14,15)