2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzonitrile CAS Name: 2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzonitrile IUPAC Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzonitrile Traditional Name: 2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzonitrile Formula: C18H19N2+ MolecularWeight: 263.35686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N2/c19-13-17-5-1-2-6-18(17)16-9-7-15(8-10-16)14-20-11-3-4-12-20/h1-2,5-10H,3-4,11-12,14H2/p+1