3-(2-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(2-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-(2-chlorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(2-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(2-chlorophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-(2-chlorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C17H16ClN2OS+ MolecularWeight: 331.83974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC=CC=C2

InChI

InChI=1S/C17H15ClN2OS/c1-2-10-19-17(22)15(20-11-6-3-7-12-20)16(21)13-8-4-5-9-14(13)18/h2-9,11-12,15H,1,10H2/p+1