(2R)-3-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: (2R)-3-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-3-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC=C)[S-])[N+]2=CC=CC(=C2)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC=C)[S-])[N+]2=CC=CC(=C2)CO)C

InChI

InChI=1S/C20H22N2O2S/c1-4-9-21-20(25)18(22-10-5-6-16(12-22)13-23)19(24)17-8-7-14(2)15(3)11-17/h4-8,10-12,18,23H,1,9,13H2,2-3H3/t18-/m1/s1