O5-ethyl O4-[2-(4-methoxyphenyl)ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylate

Systemtic Name: O5-ethyl O4-[2-(4-methoxyphenyl)ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylate Openeye Name: O5-ethyl O4-[2-(4-methoxyphenyl)ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylic acid O5-ethyl ester O4-[2-(4-methoxyphenyl)ethyl] ester IUPAC Name: 5-O-ethyl 4-O-[2-(4-methoxyphenyl)ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-3,4-dihydropyridin-1-ium-4,5-dicarboxylic acid O5-ethyl ester O4-[2-(4-methoxyphenyl)ethyl] ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(CC1C(=O)OCCC2=CC=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C[C@H]1C(=O)OCCC2=CC=C(C=C2)OC)C)C

InChI

InChI=1S/C20H25NO5/c1-5-25-20(23)18-14(3)21-13(2)12-17(18)19(22)26-11-10-15-6-8-16(24-4)9-7-15/h6-9,17H,5,10-12H2,1-4H3/p+1/t17-/m1/s1