4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C12H15N8+ MolecularWeight: 271.3011

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NN=C2C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NN=C2C#N)C3=NC=CC=N3

InChI

InChI=1S/C12H14N8/c13-8-11-17-16-9-20(11)10-18-4-6-19(7-5-18)12-14-2-1-3-15-12/h1-3,9H,4-7,10H2/p+1