3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C16H18N5+ MolecularWeight: 280.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C16H17N5/c17-12-14-3-1-4-15(11-14)13-20-7-9-21(10-8-20)16-18-5-2-6-19-16/h1-6,11H,7-10,13H2/p+1