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

Systemtic Name: 1-(4-butyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-(4-butyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide CAS Name: 1-(4-butyl-4-methyl-1-piperazin-4-iumyl)-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide Traditional Name: 1-(4-butyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Formula: C24H33IN2O MolecularWeight: 492.43609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N2O.HI/c1-3-4-17-26(2)18-15-25(16-19-26)24(27)20-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,23H,3-4,15-20H2,1-2H3;1H/q+1;/p-1