methyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: methyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate Openeye Name: methyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]quinuclidin-1-ium-3-carboxylate CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]quinuclidin-1-ium-3-carboxylic acid methyl ester Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[N+]2(CCC1CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1C[N+]2(CCC1CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53

InChI

InChI=1S/C26H33N2O2/c1-30-26(29)23-19-28(17-13-20(23)14-18-28)16-6-15-27-24-9-4-2-7-21(24)11-12-22-8-3-5-10-25(22)27/h2-5,7-10,20,23H,6,11-19H2,1H3/q+1