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JPV

Summary
Name:(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:C14 H16 N2 O
Formal charge:0
Formula weight:228.29 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c21nc3C4C(O)CNC(Cc3c1cccc2)C4
InChIInChI1.03InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1
InChIKeyInChI1.03JSQMIQJGYNNWQB-KDDOJWQBSA-N
SMILES_CANONICALCACTVS3.385O[C@H]1CN[C@@H]2C[C@H]1c3[nH]c4ccccc4c3C2
SMILESCACTVS3.385O[CH]1CN[CH]2C[CH]1c3[nH]c4ccccc4c3C2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c3c([nH]2)C4CC(C3)NCC4O

223532

PDB entries from 2024-08-07

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