3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-bromo-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C13H16BrN2O+ MolecularWeight: 296.18294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)C#N)Br

InChI

InChI=1S/C13H15BrN2O/c14-12-9-11(10-15)3-4-13(12)17-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2/p+1