[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl] ethanoate iodide

Systemtic Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl] ethanoate iodide Openeye Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl] acetate iodide CAS Name: acetic acid [3-(4,4-dimethyl-1-piperazin-4-iumyl)phenyl] ester iodide IUPAC Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl] acetate iodide Traditional Name: acetic acid [3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl] ester iodide Formula: C14H21IN2O2 MolecularWeight: 376.23321

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2CC[N+](CC2)(C)C.[I-]

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2CC[N+](CC2)(C)C.[I-]

InChI

InChI=1S/C14H21N2O2.HI/c1-12(17)18-14-6-4-5-13(11-14)15-7-9-16(2,3)10-8-15;/h4-6,11H,7-10H2,1-3H3;1H/q+1;/p-1