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

Systemtic Name: methyl (3S,4S)-3-(4-iodophenyl)-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-3-(4-iodophenyl)-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-3-(4-iodophenyl)-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(4-iodophenyl)-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-3-(4-iodophenyl)-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H21INO2+ MolecularWeight: 386.24791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1C2CCC1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/p+1/t12?,13-,14?,15+/m1/s1