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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)acrylamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C21H24N4O3S/c1-27-17-8-6-16(15-18(17)28-2)7-9-20(26)23-21(29)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10,15H,11-14H2,1-2H3,(H,23,26,29)/p+1/b9-7+