(2R)-3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2R)-3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2R)-3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2R)-3-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C23H22FN2OS+ MolecularWeight: 393.496983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2OS/c1-16-6-9-19(14-17(16)2)22(27)21(26-12-4-3-5-13-26)23(28)25-15-18-7-10-20(24)11-8-18/h3-14,21H,15H2,1-2H3/p+1/t21-/m1/s1