3-ethoxycarbonyl-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzo[g]benzofuran-5-olate Formula: C26H25NO4 MolecularWeight: 415.481

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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