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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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