diethyl 4-(3-chloranyl-1,1-dimethyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylate chloride

Systemtic Name: diethyl 4-(3-chloranyl-1,1-dimethyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylate chloride Openeye Name: diethyl 4-(3-chloro-5-isopropylidene-1,1-dimethyl-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylate chloride CAS Name: 4-(3-chloro-1,1-dimethyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 4-(3-chloro-1,1-dimethyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylate chloride Traditional Name: 4-(3-chloro-5-isopropylidene-1,1-dimethyl-2,6-dihydropyridin-1-ium-4-yl)benzene-1,2-dicarboxylic acid diethyl ester chloride Formula: C22H29Cl2NO4 MolecularWeight: 442.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=C(C[N+](CC2=C(C)C)(C)C)Cl)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=C(C[N+](CC2=C(C)C)(C)C)Cl)C(=O)OCC.[Cl-]

InChI

InChI=1S/C22H29ClNO4.ClH/c1-7-27-21(25)16-10-9-15(11-17(16)22(26)28-8-2)20-18(14(3)4)12-24(5,6)13-19(20)23;/h9-11H,7-8,12-13H2,1-6H3;1H/q+1;/p-1