5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]-2-furoic acid Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H14N2O3/c1-8(2)11-13-5-6-14(11)7-9-3-4-10(17-9)12(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)/p+1