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

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 2-[(4,4-dimethyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N3O2S/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/q+1