(4-bromanyl-2,6-dimethyl-phenyl) 1-methyl-2-phenyl-quinolin-1-ium-4-carboxylate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 1-methyl-2-phenyl-quinolin-1-ium-4-carboxylate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 1-methyl-2-phenyl-quinolin-1-ium-4-carboxylate CAS Name: 1-methyl-2-phenyl-4-quinolin-1-iumcarboxylic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 1-methyl-2-phenylquinolin-1-ium-4-carboxylate Traditional Name: 1-methyl-2-phenyl-quinolin-1-ium-4-carboxylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C25H21BrNO2+ MolecularWeight: 447.34374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=[N+](C3=CC=CC=C32)C)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=[N+](C3=CC=CC=C32)C)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C25H21BrNO2/c1-16-13-19(26)14-17(2)24(16)29-25(28)21-15-23(18-9-5-4-6-10-18)27(3)22-12-8-7-11-20(21)22/h4-15H,1-3H3/q+1