4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H17N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-9,11H2,1H3/p+1