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

Systemtic Name: N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-cyclopropyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-cyclopropyl-3-(3,4-dimethylphenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C(=S)NC2CC2)[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/p+1