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

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-bromo-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C14H18BrN2O2+ MolecularWeight: 326.20892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O2/c1-18-13-9-11(10-16)8-12(15)14(13)19-7-6-17-4-2-3-5-17/h8-9H,2-7H2,1H3/p+1