2-[(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexan-1-ol iodide

Systemtic Name: 2-[(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexan-1-ol iodide Openeye Name: 2-[(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexanol iodide CAS Name: 2-[(4-ethyl-4-methyl-1-piperazin-4-iumyl)-phenylmethyl]-1-cyclohexanol iodide IUPAC Name: 2-[(4-ethyl-4-methylpiperazin-4-ium-1-yl)-phenylmethyl]cyclohexan-1-ol iodide Traditional Name: 2-[(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexanol iodide Formula: C20H33IN2O MolecularWeight: 444.39329

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2CCCCC2O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2CCCCC2O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C20H33N2O.HI/c1-3-22(2)15-13-21(14-16-22)20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)23;/h4-6,9-10,18-20,23H,3,7-8,11-16H2,1-2H3;1H/q+1;/p-1