ethyl 1-ethyl-6,7-dimethoxy-3-methyl-2-(4-methylphenyl)isoquinolin-2-ium-4-carboxylate

Systemtic Name: ethyl 1-ethyl-6,7-dimethoxy-3-methyl-2-(4-methylphenyl)isoquinolin-2-ium-4-carboxylate Openeye Name: ethyl 1-ethyl-6,7-dimethoxy-3-methyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylate CAS Name: 1-ethyl-6,7-dimethoxy-3-methyl-2-(4-methylphenyl)-4-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6,7-dimethoxy-3-methyl-2-(4-methylphenyl)isoquinolin-2-ium-4-carboxylate Traditional Name: 1-ethyl-6,7-dimethoxy-3-methyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylic acid ethyl ester Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(C2=CC(=C(C=C21)OC)OC)C(=O)OCC)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=[N+](C(=C(C2=CC(=C(C=C21)OC)OC)C(=O)OCC)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H28NO4/c1-7-20-18-13-21(27-5)22(28-6)14-19(18)23(24(26)29-8-2)16(4)25(20)17-11-9-15(3)10-12-17/h9-14H,7-8H2,1-6H3/q+1