2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzenecarbonitrile

Systemtic Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzenecarbonitrile Openeye Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzonitrile CAS Name: 2-[4-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]butoxy]benzonitrile IUPAC Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzonitrile Traditional Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzonitrile Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCOC2=CC=CC=C2C#N

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C17H24N2O2/c1-14-12-19(13-15(2)21-14)9-5-6-10-20-17-8-4-3-7-16(17)11-18/h3-4,7-8,14-15H,5-6,9-10,12-13H2,1-2H3/p+1/t14-,15-/m1/s1