4-(diphenylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C22H28N3S+ MolecularWeight: 366.54282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3S/c1-18(2)17-23-22(26)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,1,13-17H2,2H3,(H,23,26)/p+1