methyl 2-(3-bromanyl-4,5-dimethoxy-phenyl)-2-butyl-4,6-dimethoxy-3-oxidanylidene-isoquinolin-2-ium-7-carboxylate

Systemtic Name: methyl 2-(3-bromanyl-4,5-dimethoxy-phenyl)-2-butyl-4,6-dimethoxy-3-oxidanylidene-isoquinolin-2-ium-7-carboxylate Openeye Name: methyl 2-(3-bromo-4,5-dimethoxy-phenyl)-2-butyl-4,6-dimethoxy-3-oxo-isoquinolin-2-ium-7-carboxylate CAS Name: 2-(3-bromo-4,5-dimethoxyphenyl)-2-butyl-4,6-dimethoxy-3-oxo-7-isoquinolin-2-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4,5-dimethoxyphenyl)-2-butyl-4,6-dimethoxy-3-oxoisoquinolin-2-ium-7-carboxylate Traditional Name: 2-(3-bromo-4,5-dimethoxy-phenyl)-2-butyl-3-keto-4,6-dimethoxy-isoquinolin-2-ium-7-carboxylic acid methyl ester Formula: C25H29BrNO7+ MolecularWeight: 535.40426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C2C=C(C(=CC2=C(C1=O)OC)OC)C(=O)OC)C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CCCC[N+]1(C=C2C=C(C(=CC2=C(C1=O)OC)OC)C(=O)OC)C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C25H29BrNO7/c1-7-8-9-27(16-11-19(26)23(33-5)21(12-16)31-3)14-15-10-18(25(29)34-6)20(30-2)13-17(15)22(32-4)24(27)28/h10-14H,7-9H2,1-6H3/q+1