[azanyl(pyridin-3-yl)methylidene]-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]oxy-azanium

Systemtic Name: [azanyl(pyridin-3-yl)methylidene]-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]oxy-azanium Openeye Name: [amino(3-pyridyl)methylene]-[(2S)-2-(p-tolylsulfanyl)propanoyl]oxy-ammonium CAS Name: [amino(3-pyridinyl)methylidene]-[(2S)-2-[(4-methylphenyl)thio]-1-oxopropoxy]ammonium IUPAC Name: [amino(pyridin-3-yl)methylidene]-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]oxyazanium Traditional Name: [amino(3-pyridyl)methylene]-[(2S)-2-(p-tolylthio)propanoyl]oxy-ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)O[NH+]=C(C2=CN=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)O[NH+]=C(C2=CN=CC=C2)N

InChI

InChI=1S/C16H17N3O2S/c1-11-5-7-14(8-6-11)22-12(2)16(20)21-19-15(17)13-4-3-9-18-10-13/h3-10,12H,1-2H3,(H2,17,19)/p+1/t12-/m0/s1