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

Systemtic Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-6-methoxy-phenolate Openeye Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-6-methoxy-phenolate CAS Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-6-methoxyphenolate IUPAC Name: 2-[3,5-bis(methoxycarbonyl)-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl]-6-methoxyphenolate Traditional Name: 2-(3,5-dicarbomethoxy-4,6-dimethyl-2,3-dihydropyridin-1-ium-2-yl)-6-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/c1-9-13(17(21)24-4)10(2)19-15(14(9)18(22)25-5)11-7-6-8-12(23-3)16(11)20/h6-8,14-15,20H,1-5H3