(2R)-3-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2R)-3-(3,4-dimethylphenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-3-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC(=C(C=C2)C)C)C(=NCC=C)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS/c1-5-10-21-20(24)18(22-11-6-7-14(2)13-22)19(23)17-9-8-15(3)16(4)12-17/h5-9,11-13,18H,1,10H2,2-4H3/t18-/m1/s1