4-(2-fluorophenyl)-1-(2-methoxyethyl)-2,6-dimethyl-1-propan-2-yl-4H-pyridin-1-ium-3,5-dicarboxylic acid

Systemtic Name: 4-(2-fluorophenyl)-1-(2-methoxyethyl)-2,6-dimethyl-1-propan-2-yl-4H-pyridin-1-ium-3,5-dicarboxylic acid Openeye Name: 4-(2-fluorophenyl)-1-isopropyl-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridin-1-ium-3,5-dicarboxylic acid CAS Name: 4-(2-fluorophenyl)-1-(2-methoxyethyl)-2,6-dimethyl-1-propan-2-yl-4H-pyridin-1-ium-3,5-dicarboxylic acid IUPAC Name: 4-(2-fluorophenyl)-1-(2-methoxyethyl)-2,6-dimethyl-1-propan-2-yl-4H-pyridin-1-ium-3,5-dicarboxylic acid Traditional Name: 4-(2-fluorophenyl)-1-isopropyl-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridin-1-ium-3,5-dicarboxylic acid Formula: C21H27FNO5+ MolecularWeight: 392.441183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C([N+]1(CCOC)C(C)C)C)C(=O)O)C2=CC=CC=C2F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C([N+]1(CCOC)C(C)C)C)C(=O)O)C2=CC=CC=C2F)C(=O)O

InChI

InChI=1S/C21H26FNO5/c1-12(2)23(10-11-28-5)13(3)17(20(24)25)19(18(14(23)4)21(26)27)15-8-6-7-9-16(15)22/h6-9,12,19H,10-11H2,1-5H3,(H-,24,25,26,27)/p+1