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

Systemtic Name: 4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c14-11-12-3-5-13(6-4-12)16-10-9-15-7-1-2-8-15/h3-6H,1-2,7-10H2/p+1