ethyl 2-(3,5-dimethoxy-4-oxidanyl-phenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrolo[2,1-a]isoquinolin-4-ium-1-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethoxy-4-oxidanyl-phenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrolo[2,1-a]isoquinolin-4-ium-1-carboxylate Openeye Name: ethyl 2-(4-hydroxy-3,5-dimethoxy-phenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrolo[2,1-a]isoquinolin-4-ium-1-carboxylate CAS Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrolo[2,1-a]isoquinolin-4-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrolo[2,1-a]isoquinolin-4-ium-1-carboxylate Traditional Name: 2-(4-hydroxy-3,5-dimethoxy-phenyl)-8,9-dimethoxy-3-methyl-5,6-dihydro-3H-pyrrol[2,1-a]isoquinolin-4-ium-1-carboxylic acid ethyl ester Formula: C26H30NO7+ MolecularWeight: 468.5189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C([N+]2=C1C3=CC(=C(C=C3CC2)OC)OC)C)C4=CC(=C(C(=C4)OC)O)OC

Isomeric SMILES

CCOC(=O)C1=C(C([N+]2=C1C3=CC(=C(C=C3CC2)OC)OC)C)C4=CC(=C(C(=C4)OC)O)OC

InChI

InChI=1S/C26H29NO7/c1-7-34-26(29)23-22(16-11-20(32-5)25(28)21(12-16)33-6)14(2)27-9-8-15-10-18(30-3)19(31-4)13-17(15)24(23)27/h10-14H,7-9H2,1-6H3/p+1