2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile

Systemtic Name: 2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Openeye Name: 2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile CAS Name: 2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Formula: C9H12N5+ MolecularWeight: 190.22508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=CC(=N2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=CC(=N2)C#N

InChI

InChI=1S/C9H11N5/c10-7-8-1-2-12-9(13-8)14-5-3-11-4-6-14/h1-2,11H,3-6H2/p+1