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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)acrylamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-26-17-8-5-16(6-9-17)7-10-19(25)22-20(27)24-14-12-23(13-15-24)18-4-2-3-11-21-18/h2-11H,12-15H2,1H3,(H,22,25,27)/p+1/b10-7+