diethyl 4-(6-ethoxycarbonylpyridazin-3-yl)-2-[(4-fluorophenyl)methyl]-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(6-ethoxycarbonylpyridazin-3-yl)-2-[(4-fluorophenyl)methyl]-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-4-(6-ethoxycarbonylpyridazin-3-yl)-6-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxylate CAS Name: 4-(6-ethoxycarbonyl-3-pyridazinyl)-2-[(4-fluorophenyl)methyl]-6-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(6-ethoxycarbonylpyridazin-3-yl)-2-[(4-fluorophenyl)methyl]-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]pyridine-3,5-dicarboxylate Traditional Name: 2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-4-(6-carbethoxypyridazin-3-yl)-6-(4-fluorobenzyl)pyridine-3,5-dicarboxylic acid diethyl ester Formula: C34H40FN4O8+ MolecularWeight: 651.701803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CC4=CC=C(C=C4)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NN=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CC4=CC=C(C=C4)F)C(=O)OCC

InChI

InChI=1S/C34H40FN4O8/c1-7-44-30(40)24-17-16-23(37-38-24)26-27(31(41)45-8-2)25(20-21-12-14-22(35)15-13-21)36-29(28(26)32(42)46-9-3)39(18-10-11-19-39)33(43)47-34(4,5)6/h12-17H,7-11,18-20H2,1-6H3/q+1