dimethyl (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-(4-morpholin-4-iumyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-morpholin-4-ium-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-2-(4-cyanophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=C1)[NH+]2CCOCC2)C(=O)OC)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C([C@H]([C@H](C(=C1)[NH+]2CCOCC2)C(=O)OC)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C22H24N2O5/c1-14-12-17(24-8-10-29-11-9-24)20(22(26)28-3)19(18(14)21(25)27-2)16-6-4-15(13-23)5-7-16/h4-7,12,19-20H,8-11H2,1-3H3/p+1/t19-,20+/m1/s1