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

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[[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=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

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

InChI

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