3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate Openeye Name: 3-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoate CAS Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate IUPAC Name: 3-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate Traditional Name: 3-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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