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

Systemtic Name: dimethyl (1R,2R)-2-(4-methoxyphenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2R)-2-(4-methoxyphenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-2-(4-methoxyphenyl)-4-methyl-6-(4-morpholin-4-iumyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-2-(4-methoxyphenyl)-4-methyl-6-morpholin-4-ium-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-2-(4-methoxyphenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C22H28NO6+ MolecularWeight: 402.46082

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-14-13-17(23-9-11-29-12-10-23)20(22(25)28-4)19(18(14)21(24)27-3)15-5-7-16(26-2)8-6-15/h5-8,13,19-20H,9-12H2,1-4H3/p+1/t19-,20+/m1/s1