dimethyl 3-[(2,6-dimethylphenyl)carbamoyl]-10bH-pyrrolo[2,1-a]isoquinolin-4-ium-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[(2,6-dimethylphenyl)carbamoyl]-10bH-pyrrolo[2,1-a]isoquinolin-4-ium-1,2-dicarboxylate Openeye Name: dimethyl 3-[(2,6-dimethylphenyl)carbamoyl]-10bH-pyrrolo[2,1-a]isoquinolin-4-ium-1,2-dicarboxylate CAS Name: 3-[(2,6-dimethylanilino)-oxomethyl]-10bH-pyrrolo[2,1-a]isoquinolin-4-ium-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(2,6-dimethylphenyl)carbamoyl]-10bH-pyrrolo[2,1-a]isoquinolin-4-ium-1,2-dicarboxylate Traditional Name: 3-[(2,6-dimethylphenyl)carbamoyl]-10bH-pyrrol[2,1-a]isoquinolin-4-ium-1,2-dicarboxylic acid dimethyl ester Formula: C25H23N2O5+ MolecularWeight: 431.46052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=[N+]3C=CC4=CC=CC=C4C3C(=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=[N+]3C=CC4=CC=CC=C4C3C(=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H22N2O5/c1-14-8-7-9-15(2)20(14)26-23(28)22-19(25(30)32-4)18(24(29)31-3)21-17-11-6-5-10-16(17)12-13-27(21)22/h5-13,21H,1-4H3/p+1