2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-4-methoxy-phenolate

Systemtic Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-4-methoxy-phenolate Openeye Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-4-methoxy-phenolate CAS Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-4-methoxyphenolate IUPAC Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-4-methoxyphenolate Traditional Name: 2-(3,5-dicarbomethoxy-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl)-4-methoxy-phenolate Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(C1C(=O)OC)C2=C(C=CC(=C2)OC)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(C(=[NH+]C(C1C(=O)OC)C2=C(C=CC(=C2)OC)[O-])C)C(=O)OC

InChI

InChI=1S/C18H21NO6/c1-9-14(17(21)24-4)10(2)19-16(15(9)18(22)25-5)12-8-11(23-3)6-7-13(12)20/h6-8,15-16,20H,1-5H3