3-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide

Systemtic Name: 3-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide Openeye Name: N-allyl-3-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(4-bromophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanethioamide IUPAC Name: 3-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanethioamide Traditional Name: N-allyl-3-(4-bromophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C18H18BrN2O2S+ MolecularWeight: 406.31672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O2S/c1-2-9-20-18(24)16(21-10-3-4-13(11-21)12-22)17(23)14-5-7-15(19)8-6-14/h2-8,10-11,16,22H,1,9,12H2/p+1