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

Systemtic Name: ethyl 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-hydroxy-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CCCC(C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CCC[C@@H](C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-7-8-16(2)14-25)19(26)11-12-20(21)29-23(22)17-9-5-4-6-10-17/h4-6,9-12,16,26H,3,7-8,13-15H2,1-2H3/p+1/t16-/m0/s1