diethyl 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate chloride

Systemtic Name: diethyl 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate chloride Openeye Name: diethyl 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate chloride CAS Name: 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate chloride Traditional Name: 4-(4-bromophenyl)-2,6-dimethyl-1-phenyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylic acid diethyl ester chloride Formula: C25H27BrClNO4 MolecularWeight: 520.84318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+](C(=C(C1C2=CC=C(C=C2)Br)C(=O)OCC)C)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C([NH+](C(=C(C1C2=CC=C(C=C2)Br)C(=O)OCC)C)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C25H26BrNO4.ClH/c1-5-30-24(28)21-16(3)27(20-10-8-7-9-11-20)17(4)22(25(29)31-6-2)23(21)18-12-14-19(26)15-13-18;/h7-15,23H,5-6H2,1-4H3;1H