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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2/c1-21-9-8-14-24(19-21)30-20-25(29)27-15-17-28(18-16-27)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,26H,15-18,20H2,1H3/p+1