2-methylpropyl 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: 2-methylpropyl 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: isobutyl 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid isobutyl ester Formula: C19H26NO5+ MolecularWeight: 348.41344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCOCC3)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCOCC3)O)C(=O)OCC(C)C

InChI

InChI=1S/C19H25NO5/c1-12(2)11-24-19(22)17-13(3)25-16-5-4-15(21)14(18(16)17)10-20-6-8-23-9-7-20/h4-5,12,21H,6-11H2,1-3H3/p+1