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

Systemtic Name: methyl 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate Openeye Name: methyl 4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoate CAS Name: 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzoate Traditional Name: 4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzoic acid methyl ester Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-11(2)14-16-8-9-17(14)10-12-4-6-13(7-5-12)15(18)19-3/h4-9,11H,10H2,1-3H3/p+1