[cyclohexyl(phenyl)methyl] 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanoate iodide

Systemtic Name: [cyclohexyl(phenyl)methyl] 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanoate iodide Openeye Name: [cyclohexyl(phenyl)methyl] 2-(4,4-dimethylpiperazin-4-ium-1-yl)acetate iodide CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)acetic acid [cyclohexyl(phenyl)methyl] ester iodide IUPAC Name: [cyclohexyl(phenyl)methyl] 2-(4,4-dimethylpiperazin-4-ium-1-yl)acetate iodide Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)acetic acid [cyclohexyl(phenyl)methyl] ester iodide Formula: C21H33IN2O2 MolecularWeight: 472.40339

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC(=O)OC(C2CCCCC2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)CC(=O)OC(C2CCCCC2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C21H33N2O2.HI/c1-23(2)15-13-22(14-16-23)17-20(24)25-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3,5-6,9-10,19,21H,4,7-8,11-17H2,1-2H3;1H/q+1;/p-1