(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-3-(2-thienyl)thiopropionamide Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C(=O)C2=CC=CS2)C(=S)NCC=C

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CS2)C(=S)NCC=C

InChI

InChI=1S/C17H19N3OS2/c1-4-9-18-17(22)15(16(21)14-6-5-12-23-14)20-10-7-13(8-11-20)19(2)3/h4-8,10-12,15H,1,9H2,2-3H3/p+1/t15-/m0/s1