ethyl 2-methyl-5-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C26H26NO4+ MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C26H25NO4/c1-3-30-26(29)22-16(2)31-25-20-11-7-6-10-19(20)24(28)21(23(22)25)15-27-13-12-17-8-4-5-9-18(17)14-27/h4-11,28H,3,12-15H2,1-2H3/p+1