3-[(R)-cyano(piperazin-4-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(R)-cyano(piperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(R)-cyano(piperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(R)-cyano(1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-[(R)-cyano(piperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(R)-cyano(piperazin-4-ium-1-yl)methyl]benzonitrile Formula: C13H15N4+ MolecularWeight: 227.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N4/c14-9-11-2-1-3-12(8-11)13(10-15)17-6-4-16-5-7-17/h1-3,8,13,16H,4-7H2/p+1/t13-/m0/s1