methyl 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-iodophenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H23INO2+ MolecularWeight: 400.27449

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC)C

Isomeric SMILES

C[N+]1(C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC)C

InChI

InChI=1S/C17H23INO2/c1-19(2)13-8-9-15(19)16(17(20)21-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3/q+1