4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-pyrimidine CAS Name: 4-[[(4-chlorophenyl)methylthio]methyl]-6-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenylpyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenylpyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-[[(4-chlorobenzyl)thio]methyl]-2-phenyl-pyrimidine Formula: C35H34ClN4S+ MolecularWeight: 578.18926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC(=C4)CSCC5=CC=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC(=C4)CSCC5=CC=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C35H33ClN4S/c36-31-18-16-27(17-19-31)25-41-26-32-24-33(38-35(37-32)30-14-8-3-9-15-30)39-20-22-40(23-21-39)34(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-19,24,34H,20-23,25-26H2/p+1