2-(3-methyl-2-propan-2-yl-imidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: 2-(3-methyl-2-propan-2-yl-imidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid 2-(3-methyl-2-propan-2-yl-1-imidazol-3-iumyl)ethyl ester iodide IUPAC Name: 2-(3-methyl-2-propan-2-ylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl ester iodide Formula: C24H35IN2O3 MolecularWeight: 526.45077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C24H35N2O3.HI/c1-19(2)22-25(3)15-16-26(22)17-18-29-23(27)24(28,21-13-9-6-10-14-21)20-11-7-4-5-8-12-20;/h6,9-10,13-16,19-20,28H,4-5,7-8,11-12,17-18H2,1-3H3;1H/q+1;/p-1