[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-phenylmethoxyphenyl)methanethione

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-phenylmethoxyphenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-benzyloxyphenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-phenylmethoxyphenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-benzoxyphenyl)methanethione Formula: C31H31N2OS+ MolecularWeight: 479.65564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30N2OS/c35-31(28-16-18-29(19-17-28)34-24-25-10-4-1-5-11-25)33-22-20-32(21-23-33)30(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,30H,20-24H2/p+1