3-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)benzonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3/p+1