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

Systemtic Name: ethyl 5-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH+]3CCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH+]3CCCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO5/c1-2-28-24(27)22-20-14-19(29-16-18(26)15-25-12-6-7-13-25)10-11-21(20)30-23(22)17-8-4-3-5-9-17/h3-5,8-11,14,18,26H,2,6-7,12-13,15-16H2,1H3/p+1/t18-/m0/s1