3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C#N

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C#N

InChI

InChI=1S/C14H18N2O2/c1-17-13-6-4-5-12(11-15)14(13)18-10-9-16-7-2-3-8-16/h4-6H,2-3,7-10H2,1H3/p+1