4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzonitrile CAS Name: 4-[3-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]propoxy]benzonitrile IUPAC Name: 4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzonitrile Traditional Name: 4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzonitrile Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H22N2O2/c1-13-11-18(12-14(2)20-13)8-3-9-19-16-6-4-15(10-17)5-7-16/h4-7,13-14H,3,8-9,11-12H2,1-2H3/p+1/t13-,14-/m1/s1