(4,4-dimethylpiperazin-4-ium-1-yl)-phenyl-methanone iodide

Systemtic Name: (4,4-dimethylpiperazin-4-ium-1-yl)-phenyl-methanone iodide Openeye Name: (4,4-dimethylpiperazin-4-ium-1-yl)-phenyl-methanone iodide CAS Name: (4,4-dimethyl-1-piperazin-4-iumyl)-phenylmethanone iodide IUPAC Name: (4,4-dimethylpiperazin-4-ium-1-yl)-phenylmethanone iodide Traditional Name: (4,4-dimethylpiperazin-4-ium-1-yl)-phenyl-methanone iodide Formula: C13H19IN2O MolecularWeight: 346.20723

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C13H19N2O.HI/c1-15(2)10-8-14(9-11-15)13(16)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1