(2Z)-2-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-pivaloyl-acrylonitrile Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OCC[NH+]2CCOCC2)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\C1=CC(=C(C=C1)OCC[NH+]2CCOCC2)OC)/C#N

InChI

InChI=1S/C21H28N2O4/c1-21(2,3)20(24)17(15-22)13-16-5-6-18(19(14-16)25-4)27-12-9-23-7-10-26-11-8-23/h5-6,13-14H,7-12H2,1-4H3/p+1/b17-13-