4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyronitrile Formula: C12H18N5+ MolecularWeight: 232.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=NC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=NC=CC=N2

InChI

InChI=1S/C12H17N5/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12/h3,5-6H,1-2,7-11H2/p+1