ethyl 5-bromanyl-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]coumarilic acid ethyl ester Formula: C18H23BrNO4+ MolecularWeight: 397.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C18H22BrNO4/c1-4-22-18(21)17-15(10-20-8-11(2)23-12(3)9-20)14-7-13(19)5-6-16(14)24-17/h5-7,11-12H,4,8-10H2,1-3H3/p+1/t11-,12-/m0/s1