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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-isopropylphenoxy)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-isopropylphenoxy)ethanone Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O2/c1-22(2)23-13-15-26(16-14-23)32-21-27(31)29-17-19-30(20-18-29)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,22,28H,17-21H2,1-2H3/p+1