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

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCCC4)C

InChI

InChI=1S/C21H23NO4/c1-3-25-21(24)17-13(2)26-20-15-9-5-4-8-14(15)19(23)16(18(17)20)12-22-10-6-7-11-22/h4-5,8-9,23H,3,6-7,10-12H2,1-2H3/p+1