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

Systemtic Name: 3-(3-bromophenyl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanethioamide Openeye Name: 3-(3-bromophenyl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(3-bromophenyl)-N-ethyl-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxopropanethioamide IUPAC Name: 3-(3-bromophenyl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: 3-(3-bromophenyl)-N-ethyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C17H18BrN2O2S+ MolecularWeight: 394.30602

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC(=CC=C1)Br)[N+]2=CC=CC(=C2)CO

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC(=CC=C1)Br)[N+]2=CC=CC(=C2)CO

InChI

InChI=1S/C17H17BrN2O2S/c1-2-19-17(23)15(20-8-4-5-12(10-20)11-21)16(22)13-6-3-7-14(18)9-13/h3-10,15,21H,2,11H2,1H3/p+1