1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-20(28)21-12-14-24(15-13-21)31(29,30)27-18-16-26(17-19-27)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-19H2,1H3/p+1