4-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ium-3-ylsulfanyl-butanoate

Systemtic Name: 4-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ium-3-ylsulfanyl-butanoate Openeye Name: 4-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ium-3-ylsulfanyl-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-(3-pyrrolidin-1-iumylthio)butanoate IUPAC Name: 4-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ium-3-ylsulfanylbutanoate Traditional Name: 4-[4-(methylthio)phenyl]-4-(pyrrolidin-1-ium-3-ylthio)butyrate Formula: C15H21NO2S2 MolecularWeight: 311.46274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CCC(=O)[O-])SC2CC[NH2+]C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(CCC(=O)[O-])SC2CC[NH2+]C2

InChI

InChI=1S/C15H21NO2S2/c1-19-12-4-2-11(3-5-12)14(6-7-15(17)18)20-13-8-9-16-10-13/h2-5,13-14,16H,6-10H2,1H3,(H,17,18)