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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(o-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(2-methylphenyl)methylthio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(2-methylbenzyl)thio]ethanone Formula: C27H31N2OS+ MolecularWeight: 431.61284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2OS/c1-22-10-8-9-15-25(22)20-31-21-26(30)28-16-18-29(19-17-28)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,27H,16-21H2,1H3/p+1