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

Systemtic Name: (E)-3-(furan-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)acrylamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C13H17N3O2S/c1-15-6-8-16(9-7-15)13(19)14-12(17)5-4-11-3-2-10-18-11/h2-5,10H,6-9H2,1H3,(H,14,17,19)/p+1/b5-4+