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

Systemtic Name: N-(2-methylprop-2-enyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C18H26N3S+ MolecularWeight: 316.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3S/c1-16(2)15-19-18(22)21-13-11-20(12-14-21)10-6-9-17-7-4-3-5-8-17/h3-9H,1,10-15H2,2H3,(H,19,22)/p+1/b9-6+