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

Systemtic Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]coumarilic acid Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H16N2O3/c1-10(2)15-17-7-8-18(15)9-12-11-5-3-4-6-13(11)21-14(12)16(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)/p+1