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

Systemtic Name: 4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)OCC[NH+]2CCCC2

InChI

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