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YLG

Summary
Name:(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline
Formula:C10 H13 N
Formal charge:0
Formula weight:147.217 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
InChIKeyInChI1.03QPILYVQSKNWRDD-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1NCCc2ccccc12
SMILESCACTVS3.385C[CH]1NCCc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H]1c2ccccc2CCN1
SMILESOpenEye OEToolkits1.7.6CC1c2ccccc2CCN1

221716

PDB entries from 2024-06-26

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