(2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-cyclopropyl-3-(3,4-dimethylphenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NC2CC2)[S-])[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NC2CC2)[S-])[N+]3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2OS/c1-13-6-7-15(12-14(13)2)18(22)17(19(23)20-16-8-9-16)21-10-4-3-5-11-21/h3-7,10-12,16-17H,8-9H2,1-2H3/t17-/m1/s1