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

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2R)-N-benzyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2R)-3-(3,4-dimethylphenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-N-benzyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2R)-N-benzyl-3-(3,4-dimethylphenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C23H23N2OS+ MolecularWeight: 375.50652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=S)NCC2=CC=CC=C2)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=S)NCC2=CC=CC=C2)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2OS/c1-17-11-12-20(15-18(17)2)22(26)21(25-13-7-4-8-14-25)23(27)24-16-19-9-5-3-6-10-19/h3-15,21H,16H2,1-2H3/p+1/t21-/m1/s1