(2S)-2-azaniumyl-3-(pyridin-4-ylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(pyridin-4-ylmethylsulfanyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-pyridylmethylsulfanyl)propanoate CAS Name: (2S)-2-ammonio-3-(pyridin-4-ylmethylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(pyridin-4-ylmethylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-pyridylmethylthio)propionate Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CN=CC=C1CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H12N2O2S/c10-8(9(12)13)6-14-5-7-1-3-11-4-2-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m1/s1