2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile iodide

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile iodide Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile iodide CAS Name: 2-[(4,4-dimethyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile iodide IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile iodide Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile iodide Formula: C13H18IN3O2S MolecularWeight: 407.27039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C.[I-]

InChI

InChI=1S/C13H18N3O2S.HI/c1-16(2)9-7-15(8-10-16)19(17,18)13-6-4-3-5-12(13)11-14;/h3-6H,7-10H2,1-2H3;1H/q+1;/p-1