(2R)-N-ethyl-3-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanethioamide

Systemtic Name: (2R)-N-ethyl-3-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanethioamide Openeye Name: (2R)-N-ethyl-3-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: (2R)-N-ethyl-3-(4-ethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxopropanethioamide IUPAC Name: (2R)-N-ethyl-3-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=S)NCC)[N+]2=CC=CC(=C2)CO

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C(=S)NCC)[N+]2=CC=CC(=C2)CO

InChI

InChI=1S/C19H22N2O2S/c1-3-14-7-9-16(10-8-14)18(23)17(19(24)20-4-2)21-11-5-6-15(12-21)13-22/h5-12,17,22H,3-4,13H2,1-2H3/p+1/t17-/m1/s1