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

Systemtic Name: 2-methylpropyl 2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: isobutyl 5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofurancarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxylic acid isobutyl ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCC(C)C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCC(C)C)O

InChI

InChI=1S/C21H29NO4/c1-13(2)12-25-21(24)19-15(4)26-18-9-8-17(23)16(20(18)19)11-22-10-6-5-7-14(22)3/h8-9,13-14,23H,5-7,10-12H2,1-4H3/p+1/t14-/m0/s1