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

Systemtic Name: 1-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]ethanone iodide Openeye Name: 1-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]ethanone iodide CAS Name: 1-[4-(4,4-dimethyl-1-piperazin-4-iumyl)phenyl]ethanone iodide IUPAC Name: 1-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]ethanone iodide Traditional Name: 1-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]ethanone iodide Formula: C14H21IN2O MolecularWeight: 360.23381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2O.HI/c1-12(17)13-4-6-14(7-5-13)15-8-10-16(2,3)11-9-15;/h4-7H,8-11H2,1-3H3;1H/q+1;/p-1