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

Systemtic Name: 2-phenoxyethyl 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C23H26NO6+ MolecularWeight: 412.45564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCOCC3)O)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCOCC3)O)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C23H25NO6/c1-16-21(23(26)29-14-13-28-17-5-3-2-4-6-17)22-18(15-24-9-11-27-12-10-24)19(25)7-8-20(22)30-16/h2-8,25H,9-15H2,1H3/p+1