3-(4,4-dimethylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 3-(4,4-dimethyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)benzonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N3/c1-16(2)8-6-15(7-9-16)13-5-3-4-12(10-13)11-14/h3-5,10H,6-9H2,1-2H3/q+1