3-(piperazine-1,4-diium-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(piperazine-1,4-diium-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(piperazine-1,4-diium-1-ylmethyl)benzonitrile CAS Name: 3-(1-piperazine-1,4-diiumylmethyl)benzonitrile IUPAC Name: 3-(piperazine-1,4-diium-1-ylmethyl)benzonitrile Traditional Name: 3-(piperazine-1,4-diium-1-ylmethyl)benzonitrile Formula: C12H17N3+2 MolecularWeight: 203.28348

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H15N3/c13-9-11-2-1-3-12(8-11)10-15-6-4-14-5-7-15/h1-3,8,14H,4-7,10H2/p+2