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

Systemtic Name: (2S)-2-azaniumyl-3-(2-pyridin-4-ylethylsulfanyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(4-pyridyl)ethylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-(2-pyridin-4-ylethylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2-pyridin-4-ylethylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-[2-(4-pyridyl)ethylthio]propionate Formula: C10H14N2O2S MolecularWeight: 226.29536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CN=CC=C1CCSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H14N2O2S/c11-9(10(13)14)7-15-6-3-8-1-4-12-5-2-8/h1-2,4-5,9H,3,6-7,11H2,(H,13,14)/t9-/m1/s1