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

Systemtic Name: methyl 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H20NO5+ MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-10-14(16(19)20-2)15-11(9-17-5-7-21-8-6-17)12(18)3-4-13(15)22-10/h3-4,18H,5-9H2,1-2H3/p+1