(2R)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-butanethioamide

Systemtic Name: (2R)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-butanethioamide Openeye Name: (2R)-N-allyl-3-oxo-2-pyridin-1-ium-1-yl-butanethioamide CAS Name: (2R)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)butanethioamide IUPAC Name: (2R)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylbutanethioamide Traditional Name: (2R)-N-allyl-3-keto-2-pyridin-1-ium-1-yl-thiobutyramide Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=S)NCC=C)[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)[C@H](C(=S)NCC=C)[N+]1=CC=CC=C1

InChI

InChI=1S/C12H14N2OS/c1-3-7-13-12(16)11(10(2)15)14-8-5-4-6-9-14/h3-6,8-9,11H,1,7H2,2H3/p+1/t11-/m1/s1