1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-2,2-diphenyl-ethanone iodide

Systemtic Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-2,2-diphenyl-ethanone iodide Openeye Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-2,2-diphenyl-ethanone iodide CAS Name: 1-(4-ethyl-4-methyl-1-piperazin-4-iumyl)-2,2-diphenylethanone iodide IUPAC Name: 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2,2-diphenylethanone iodide Traditional Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-2,2-diphenyl-ethanone iodide Formula: C21H27IN2O MolecularWeight: 450.35635

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C21H27N2O.HI/c1-3-23(2)16-14-22(15-17-23)21(24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,20H,3,14-17H2,1-2H3;1H/q+1;/p-1