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

Systemtic Name: ethyl 2-methyl-4-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(S)-4-morpholin-4-iumyl(pyridin-4-yl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C26H27N2O5+ MolecularWeight: 447.50298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=NC=C4)[NH+]5CCOCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=NC=C4)[NH+]5CCOCC5)C

InChI

InChI=1S/C26H26N2O5/c1-3-32-26(30)20-16(2)33-25-19-7-5-4-6-18(19)24(29)22(21(20)25)23(17-8-10-27-11-9-17)28-12-14-31-15-13-28/h4-11,23,29H,3,12-15H2,1-2H3/p+1/t23-/m0/s1