4-(4,4-dimethylpiperazin-4-ium-1-yl)-1,1-diphenyl-butan-1-ol iodide

Systemtic Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)-1,1-diphenyl-butan-1-ol iodide Openeye Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)-1,1-diphenyl-butan-1-ol iodide CAS Name: 4-(4,4-dimethyl-1-piperazin-4-iumyl)-1,1-diphenyl-1-butanol iodide IUPAC Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)-1,1-diphenylbutan-1-ol iodide Traditional Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)-1,1-diphenyl-butan-1-ol iodide Formula: C22H31IN2O MolecularWeight: 466.39881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O.HI/c1-24(2)18-16-23(17-19-24)15-9-14-22(25,20-10-5-3-6-11-20)21-12-7-4-8-13-21;/h3-8,10-13,25H,9,14-19H2,1-2H3;1H/q+1;/p-1