ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]coumarilic acid ethyl ester Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C18H23NO4/c1-4-21-18(20)17-15(14-7-5-6-8-16(14)23-17)11-19-9-12(2)22-13(3)10-19/h5-8,12-13H,4,9-11H2,1-3H3/p+1/t12-,13-/m0/s1