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

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenoxy)ethanone chloride CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenoxy)ethanone chloride Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-tert-butylphenoxy)ethanone chloride Formula: C29H35ClN2O2 MolecularWeight: 479.0534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O2.ClH/c1-29(2,3)25-14-16-26(17-15-25)33-22-27(32)30-18-20-31(21-19-30)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24;/h4-17,28H,18-22H2,1-3H3;1H