(2R)-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2R)-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2R)-3-(3,4-dichlorophenyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2R)-3-(3,4-dichlorophenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2R)-3-(3,4-dichlorophenyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H15Cl2N2O2S+ MolecularWeight: 406.3056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H14Cl2N2O2S/c20-15-7-6-13(11-16(15)21)18(24)17(23-8-2-1-3-9-23)19(26)22-12-14-5-4-10-25-14/h1-11,17H,12H2/p+1/t17-/m1/s1