(2S)-2-azaniumyl-3-(2-methylquinolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(2-methylquinolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(2-methyl-4-quinolyl)thio]propionate Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H14N2O2S/c1-8-6-12(18-7-10(14)13(16)17)9-4-2-3-5-11(9)15-8/h2-6,10H,7,14H2,1H3,(H,16,17)/t10-/m1/s1