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BS1

Summary
Name:(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
Formula:C24 H30 N O
Formal charge:1
Formula weight:348.501 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3-exo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C
SMILES_CANONICALCACTVS3.352C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)O[C@@H]3c4ccccc4CCc5ccccc35
SMILESCACTVS3.352C[N+]1(C)[CH]2CC[CH]1CC(C2)O[CH]3c4ccccc4CCc5ccccc35
SMILES_CANONICALOpenEye OEToolkits1.6.1C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C
SMILESOpenEye OEToolkits1.6.1C[N+]1(C2CCC1CC(C2)OC3c4ccccc4CCc5c3cccc5)C
InChIInChI1.03InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-
InChIKeyInChI1.03BADPXOSJBUEVTR-WKCHPHFGSA-N

221716

PDB entries from 2024-06-26

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