(3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarbonitrile

Systemtic Name: (3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarbonitrile Openeye Name: (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarbonitrile CAS Name: (3S,4R)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarbonitrile IUPAC Name: (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarbonitrile Traditional Name: (3S,4R)-1-benzylpyrrolidin-1-ium-3,4-dicarbonitrile Formula: C13H14N3+ MolecularWeight: 212.27036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]([C@@H](C[NH+]1CC2=CC=CC=C2)C#N)C#N

InChI

InChI=1S/C13H13N3/c14-6-12-9-16(10-13(12)7-15)8-11-4-2-1-3-5-11/h1-5,12-13H,8-10H2/p+1/t12-,13+