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

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H25NO4/c1-3-26-22(25)18-14(2)27-21-16-10-6-5-9-15(16)20(24)17(19(18)21)13-23-11-7-4-8-12-23/h5-6,9-10,24H,3-4,7-8,11-13H2,1-2H3/p+1