4-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-isopropyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=S)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H25N3S/c1-15(2)18-17(21)20-13-11-19(12-14-20)10-6-9-16-7-4-3-5-8-16/h3-9,15H,10-14H2,1-2H3,(H,18,21)/p+1/b9-6+