(2S)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carbonitrile

Systemtic Name: (2S)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carbonitrile Openeye Name: (2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-carbonitrile CAS Name: (2S)-1-methyl-1-(phenylmethyl)-2-pyrrolidin-1-iumcarbonitrile IUPAC Name: (2S)-1-benzyl-1-methylpyrrolidin-1-ium-2-carbonitrile Traditional Name: (2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-carbonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C#N)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2/c1-15(9-5-8-13(15)10-14)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-9,11H2,1H3/q+1/t13-,15?/m0/s1