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

Systemtic Name: dimethyl (1R,2R)-2-(4-acetamidophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2R)-2-(4-acetamidophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-2-(4-acetamidophenyl)-4-methyl-6-(4-morpholin-4-iumyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-2-(4-acetamidophenyl)-4-methyl-6-morpholin-4-ium-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-2-(4-acetamidophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C23H29N2O6+ MolecularWeight: 429.48616

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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)NC(=O)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-14-13-18(25-9-11-31-12-10-25)21(23(28)30-4)20(19(14)22(27)29-3)16-5-7-17(8-6-16)24-15(2)26/h5-8,13,20-21H,9-12H2,1-4H3,(H,24,26)/p+1/t20-,21+/m1/s1