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

Systemtic Name: ethyl 2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC(CC4)C)C

InChI

InChI=1S/C23H27NO4/c1-4-27-23(26)19-15(3)28-22-17-8-6-5-7-16(17)21(25)18(20(19)22)13-24-11-9-14(2)10-12-24/h5-8,14,25H,4,9-13H2,1-3H3/p+1