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

Systemtic Name: ethyl 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(4-morpholin-4-iumylmethyl)-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C21H24NO5+ MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C21H23NO5/c1-3-26-21(24)17-13(2)27-20-15-7-5-4-6-14(15)19(23)16(18(17)20)12-22-8-10-25-11-9-22/h4-7,23H,3,8-12H2,1-2H3/p+1