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

Systemtic Name: methyl 2-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxylic acid methyl ester Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OC)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OC)O

InChI

InChI=1S/C18H23NO4/c1-11-5-4-8-19(9-11)10-13-14(20)6-7-15-17(13)16(12(2)23-15)18(21)22-3/h6-7,11,20H,4-5,8-10H2,1-3H3/p+1/t11-/m1/s1