(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate iodide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate iodide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate iodide CAS Name: 1H-indole-3-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate iodide Traditional Name: 1H-indole-3-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide Formula: C18H23IN2O2 MolecularWeight: 426.29189

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43)C.[I-]

InChI

InChI=1S/C18H22N2O2.HI/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17;/h3-6,11-14H,7-10H2,1-2H3;1H