1-[4-[(2-cyclohexylphenyl)methyl]-1-methyl-piperazin-1-ium-1-yl]ethanol iodide

Systemtic Name: 1-[4-[(2-cyclohexylphenyl)methyl]-1-methyl-piperazin-1-ium-1-yl]ethanol iodide Openeye Name: 1-[4-[(2-cyclohexylphenyl)methyl]-1-methyl-piperazin-1-ium-1-yl]ethanol iodide CAS Name: 1-[4-[(2-cyclohexylphenyl)methyl]-1-methyl-1-piperazin-1-iumyl]ethanol iodide IUPAC Name: 1-[4-[(2-cyclohexylphenyl)methyl]-1-methylpiperazin-1-ium-1-yl]ethanol iodide Traditional Name: 1-[4-(2-cyclohexylbenzyl)-1-methyl-piperazin-1-ium-1-yl]ethanol iodide Formula: C20H33IN2O MolecularWeight: 444.39329

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCN(CC1)CC2=CC=CC=C2C3CCCCC3)C)O.[I-]

Isomeric SMILES

CC([N+]1(CCN(CC1)CC2=CC=CC=C2C3CCCCC3)C)O.[I-]

InChI

InChI=1S/C20H33N2O.HI/c1-17(23)22(2)14-12-21(13-15-22)16-19-10-6-7-11-20(19)18-8-4-3-5-9-18;/h6-7,10-11,17-18,23H,3-5,8-9,12-16H2,1-2H3;1H/q+1;/p-1