3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]coumarilic acid Formula: C14H13N2O3+ MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=[N+](C=CN1)CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H12N2O3/c1-9-15-6-7-16(9)8-11-10-4-2-3-5-12(10)19-13(11)14(17)18/h2-7H,8H2,1H3,(H,17,18)/p+1