1-(4,4-dimethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide

Systemtic Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide CAS Name: 1-(4,4-dimethyl-1-piperazin-4-iumyl)-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide Traditional Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Formula: C21H27IN2O MolecularWeight: 450.35635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O.HI/c1-23(2)15-13-22(14-16-23)21(24)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,20H,13-17H2,1-2H3;1H/q+1;/p-1