4-(diphenylmethyl)-N-(3-propan-2-yloxypropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-propan-2-yloxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-isopropoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3-propan-2-yloxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3-propan-2-yloxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-isopropoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C24H34N3OS+ MolecularWeight: 412.61126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3OS/c1-20(2)28-19-9-14-25-24(29)27-17-15-26(16-18-27)23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23H,9,14-19H2,1-2H3,(H,25,29)/p+1