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

Systemtic Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC[NH+]2CCCC2

InChI

InChI=1S/C15H20N2O2/c1-2-18-15-11-13(12-16)5-6-14(15)19-10-9-17-7-3-4-8-17/h5-6,11H,2-4,7-10H2,1H3/p+1