[2,4-diethoxy-3-ethoxycarbonyl-1-(5-fluoranylpyridin-2-yl)-4-oxidanylidene-butyl]-dimethyl-(2-methylpropyl)azanium

Systemtic Name: [2,4-diethoxy-3-ethoxycarbonyl-1-(5-fluoranylpyridin-2-yl)-4-oxidanylidene-butyl]-dimethyl-(2-methylpropyl)azanium Openeye Name: [2,4-diethoxy-3-ethoxycarbonyl-1-(5-fluoro-2-pyridyl)-4-oxo-butyl]-isobutyl-dimethyl-ammonium CAS Name: [2,4-diethoxy-3-ethoxycarbonyl-1-(5-fluoro-2-pyridinyl)-4-oxobutyl]-dimethyl-(2-methylpropyl)ammonium IUPAC Name: [2,4-diethoxy-3-ethoxycarbonyl-1-(5-fluoropyridin-2-yl)-4-oxobutyl]-dimethyl-(2-methylpropyl)azanium Traditional Name: [3-carbethoxy-2,4-diethoxy-1-(5-fluoro-2-pyridyl)-4-keto-butyl]-isobutyl-dimethyl-ammonium Formula: C22H36FN2O5+ MolecularWeight: 427.530043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=NC=C(C=C1)F)[N+](C)(C)CC(C)C)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(C(C1=NC=C(C=C1)F)[N+](C)(C)CC(C)C)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H36FN2O5/c1-8-28-20(18(21(26)29-9-2)22(27)30-10-3)19(25(6,7)14-15(4)5)17-12-11-16(23)13-24-17/h11-13,15,18-20H,8-10,14H2,1-7H3/q+1