N-butyl-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-butyl-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-butyl-piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-butylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-butyl-piperazin-4-ium-1-carbothioamide Formula: C22H30N3S+ MolecularWeight: 368.5587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3S/c1-2-3-14-23-22(26)25-17-15-24(16-18-25)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3,(H,23,26)/p+1