2-(4-ethylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H17N3/c1-2-15-7-9-16(10-8-15)13-6-4-3-5-12(13)11-14/h3-6H,2,7-10H2,1H3/p+1