3-bromanyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-bromo-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-bromo-5-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-bromo-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-bromo-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Formula: C15H20BrN2O2+ MolecularWeight: 340.2355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Br)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Br)OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H19BrN2O2/c1-19-14-10-12(11-17)9-13(16)15(14)20-8-7-18-5-3-2-4-6-18/h9-10H,2-8H2,1H3/p+1