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

Systemtic Name: dimethyl (1R,2R)-2-(4-chlorophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2R)-2-(4-chlorophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-2-(4-chlorophenyl)-4-methyl-6-(4-morpholin-4-iumyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-2-(4-chlorophenyl)-4-methyl-6-morpholin-4-ium-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-2-(4-chlorophenyl)-4-methyl-6-morpholin-4-ium-4-yl-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C21H25ClNO5+ MolecularWeight: 406.8799

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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)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5/c1-13-12-16(23-8-10-28-11-9-23)19(21(25)27-3)18(17(13)20(24)26-2)14-4-6-15(22)7-5-14/h4-7,12,18-19H,8-11H2,1-3H3/p+1/t18-,19+/m1/s1