5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbonitrile

Systemtic Name: 5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbonitrile Openeye Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzonitrile CAS Name: 5-bromo-2-[2-(4-morpholin-4-iumyl)ethoxy]benzonitrile IUPAC Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzonitrile Traditional Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzonitrile Formula: C13H16BrN2O2+ MolecularWeight: 312.18234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C#N

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C#N

InChI

InChI=1S/C13H15BrN2O2/c14-12-1-2-13(11(9-12)10-15)18-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8H2/p+1