ethyl 5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH+]3CCOCC3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH+]3CCOCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO6/c1-2-29-24(27)22-20-14-19(30-16-18(26)15-25-10-12-28-13-11-25)8-9-21(20)31-23(22)17-6-4-3-5-7-17/h3-9,14,18,26H,2,10-13,15-16H2,1H3/p+1/t18-/m0/s1