2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-chlorobenzyl)thio]ethanone Formula: C26H28ClN2OS+ MolecularWeight: 452.03132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-24-13-11-21(12-14-24)19-31-20-25(30)28-15-17-29(18-16-28)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2/p+1