5-[(dimethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-[(dimethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-[(dimethylammonio)methyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(dimethylammonio)methyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-[(dimethylazaniumyl)methyl]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[(dimethylammonio)methyl]-3-methyl-coumarilate Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-8-10-6-9(7-14(2)3)4-5-11(10)17-12(8)13(15)16/h4-6H,7H2,1-3H3,(H,15,16)