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

Systemtic Name: 3-methyl-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarilate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-11-5-7-18(8-6-11)10-13-3-4-15-14(9-13)12(2)16(21-15)17(19)20/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,20)