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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)C#N

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)C#N

InChI

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