4-(2-pyrrolidin-1-ium-1-ylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-pyrrolidin-1-ium-1-ylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-pyrrolidin-1-ium-1-ylacetyl)benzonitrile CAS Name: 4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]benzonitrile IUPAC Name: 4-(2-pyrrolidin-1-ium-1-ylacetyl)benzonitrile Traditional Name: 4-(2-pyrrolidin-1-ium-1-ylacetyl)benzonitrile Formula: C13H15N2O+ MolecularWeight: 215.271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC[NH+](C1)CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N2O/c14-9-11-3-5-12(6-4-11)13(16)10-15-7-1-2-8-15/h3-6H,1-2,7-8,10H2/p+1