3-(4-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-prop-2-enamide

Systemtic Name: 3-(4-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-prop-2-enamide Openeye Name: 3-(4-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide CAS Name: 3-(4-fluorophenyl)-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide Traditional Name: 3-(4-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)acrylamide Formula: C19H20FN4OS+ MolecularWeight: 371.451703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4OS/c20-16-7-4-15(5-8-16)6-9-18(25)22-19(26)24-13-11-23(12-14-24)17-3-1-2-10-21-17/h1-10H,11-14H2,(H,22,25,26)/p+1