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

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

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OC)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OC)O

InChI

InChI=1S/C18H23NO4/c1-11-6-8-19(9-7-11)10-13-14(20)4-5-15-17(13)16(12(2)23-15)18(21)22-3/h4-5,11,20H,6-10H2,1-3H3/p+1