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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 4-(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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