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

Systemtic Name: 3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H22N2O2/c1-2-19-16-12-14(13-17)6-7-15(16)20-11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3/p+1