(2R)-3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylazaniumyl]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylazaniumyl]propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylammonio]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[4-(methylthio)phenyl]methylammonio]propanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylazaniumyl]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-(methylthio)benzyl]ammonio]propionate Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+][C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C19H20N2O2S/c1-24-15-8-6-13(7-9-15)11-20-18(19(22)23)10-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,18,20-21H,10-11H2,1H3,(H,22,23)/t18-/m1/s1