ethyl 6-chloranyl-5-methoxy-2-methyl-7-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-5-methoxy-2-methyl-7-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-chloro-4-hydroxy-5-methoxy-2-methyl-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylate CAS Name: 6-chloro-4-hydroxy-5-methoxy-2-methyl-7-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-hydroxy-5-methoxy-2-methyl-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-chloro-4-hydroxy-5-methoxy-2-methyl-7-(morpholin-4-ium-4-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C18H23ClNO6+ MolecularWeight: 384.83132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2C[NH+]3CCOCC3)Cl)OC)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2C[NH+]3CCOCC3)Cl)OC)O)C

InChI

InChI=1S/C18H22ClNO6/c1-4-25-18(22)12-10(2)26-16-11(9-20-5-7-24-8-6-20)14(19)17(23-3)15(21)13(12)16/h21H,4-9H2,1-3H3/p+1