1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide

Systemtic Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide CAS Name: 1-(4-ethyl-4-methyl-1-piperazin-4-iumyl)-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide Traditional Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Formula: C22H29IN2O MolecularWeight: 464.38293

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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)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H29N2O.HI/c1-3-24(2)16-14-23(15-17-24)22(25)18-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,21H,3,14-18H2,1-2H3;1H/q+1;/p-1