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

Systemtic Name: (E)-3-(furan-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)acrylamide Formula: C17H19N4O2S+ MolecularWeight: 343.42336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C17H18N4O2S/c22-16(7-6-14-4-3-13-23-14)19-17(24)21-11-9-20(10-12-21)15-5-1-2-8-18-15/h1-8,13H,9-12H2,(H,19,22,24)/p+1/b7-6+