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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methylphenoxy)ethanone chloride Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)ethanone chloride CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-methylphenoxy)ethanone chloride IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)ethanone chloride Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methylphenoxy)ethanone chloride Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

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