(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-phenyl-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-phenyl-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h1-5,12,14H,6-9H2/p+1/t12-/m0/s1