2-(2,3-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)ethanone Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O2/c1-21-10-9-15-25(22(21)2)31-20-26(30)28-16-18-29(19-17-28)27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,27H,16-20H2,1-2H3/p+1