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

Systemtic Name: 1-(4,4-diethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-(4,4-diethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide CAS Name: 1-(4,4-diethyl-1-piperazin-4-iumyl)-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-(4,4-diethylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide Traditional Name: 1-(4,4-diethylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Formula: C23H31IN2O MolecularWeight: 478.40951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O.HI/c1-3-25(4-2)17-15-24(16-18-25)23(26)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,22H,3-4,15-19H2,1-2H3;1H/q+1;/p-1