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

Systemtic Name: ethyl 5-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH+]3CCCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH+]3CCCCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO5/c1-2-29-25(28)23-21-15-20(30-17-19(27)16-26-13-7-4-8-14-26)11-12-22(21)31-24(23)18-9-5-3-6-10-18/h3,5-6,9-12,15,19,27H,2,4,7-8,13-14,16-17H2,1H3/p+1/t19-/m0/s1