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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(4-nitrophenyl)methylthio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-nitrobenzyl)thio]ethanone Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c30-25(20-33-19-21-11-13-24(14-12-21)29(31)32)27-15-17-28(18-16-27)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2/p+1