(2S)-2-azaniumyl-3-(quinolin-2-ylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(quinolin-2-ylmethylsulfanyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(2-quinolylmethylsulfanyl)propanoate CAS Name: (2S)-2-ammonio-3-(2-quinolinylmethylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(quinolin-2-ylmethylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-(2-quinolylmethylthio)propionate Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H14N2O2S/c14-11(13(16)17)8-18-7-10-6-5-9-3-1-2-4-12(9)15-10/h1-6,11H,7-8,14H2,(H,16,17)/t11-/m1/s1