(E)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-3-phenyl-acrylamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c20-13-12-18-8-10-19(11-9-18)16(22)17-15(21)7-6-14-4-2-1-3-5-14/h1-7,20H,8-13H2,(H,17,21,22)/p+1/b7-6+