1-[2-(4-chlorophenyl)sulfonylethyl]-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium CAS Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium Formula: C25H28ClN2O2S+ MolecularWeight: 456.02002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O2S/c26-23-11-13-24(14-12-23)31(29,30)20-19-27-15-17-28(18-16-27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2/p+1