4-(2-chloranylcyclohexen-1-yl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-pyridin-1-ium-2,3-dicarboxylic acid

Systemtic Name: 4-(2-chloranylcyclohexen-1-yl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-pyridin-1-ium-2,3-dicarboxylic acid Openeye Name: 4-(2-chlorocyclohexen-1-yl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridin-1-ium-2,3-dicarboxylic acid CAS Name: 4-(2-chloro-1-cyclohexenyl)-1-ethyl-6-methyl-5-[oxo(propan-2-yloxy)methyl]pyridin-1-ium-2,3-dicarboxylic acid IUPAC Name: 4-(2-chlorocyclohexen-1-yl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonylpyridin-1-ium-2,3-dicarboxylic acid Traditional Name: 4-(2-chlorocyclohexen-1-yl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridin-1-ium-2,3-dicarboxylic acid Formula: C20H25ClNO6+ MolecularWeight: 410.8686

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=C(C(=C1C)C(=O)OC(C)C)C2=C(CCCC2)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC[N+]1=C(C(=C(C(=C1C)C(=O)OC(C)C)C2=C(CCCC2)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C20H24ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h10H,5-9H2,1-4H3,(H-,23,24,25,26)/p+1