3-[4-[bis(fluoranyl)methoxy]phenyl]-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-[4-(difluoromethoxy)phenyl]-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-[4-(difluoromethoxy)phenyl]-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-[4-(difluoromethoxy)phenyl]-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C18H17F2N2O2S+ MolecularWeight: 363.401586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F2N2O2S/c1-2-10-21-17(25)15(22-11-4-3-5-12-22)16(23)13-6-8-14(9-7-13)24-18(19)20/h2-9,11-12,15,18H,1,10H2/p+1