BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2561
NameLS-85800
Pubchem ID28724
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight325.28
Exact mass324.116004
Molecular formulaC17H22Cl2N2
XlogPN/A
Topological Polar Surface Area32.1
H-Bond Donor2
H-Bond Acceptor2
Rotational Bond Count2
IUPAC Name[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC=CC=C2C1CC3=CC=CC=C3[NH3+].[Cl-].[Cl-]
Isomeric SMILEN/A
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