(2R)-2-azaniumyl-3-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]propanoate CAS Name: (2R)-2-ammonio-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]propanoate Traditional Name: (2R)-2-ammonio-3-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]propionate Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H18N2O3S/c1-7-4-14-10(8(2)11(7)17-3)6-18-5-9(13)12(15)16/h4,9H,5-6,13H2,1-3H3,(H,15,16)/t9-/m0/s1