3-(4-chlorophenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-[(4-chlorophenyl)thio]propan-1-one 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)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

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