4-(3-morpholin-4-ium-4-ylpropoxy)benzenecarbonitrile

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropoxy)benzenecarbonitrile Openeye Name: 4-(3-morpholin-4-ium-4-ylpropoxy)benzonitrile CAS Name: 4-[3-(4-morpholin-4-iumyl)propoxy]benzonitrile IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropoxy)benzonitrile Traditional Name: 4-(3-morpholin-4-ium-4-ylpropoxy)benzonitrile Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C1COCC[NH+]1CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H18N2O2/c15-12-13-2-4-14(5-3-13)18-9-1-6-16-7-10-17-11-8-16/h2-5H,1,6-11H2/p+1