4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid Openeye Name: 4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid CAS Name: 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid IUPAC Name: 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid Traditional Name: 4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-10(2)13-15-7-8-16(13)9-11-3-5-12(6-4-11)14(17)18/h3-8,10H,9H2,1-2H3,(H,17,18)/p+1