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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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