BIAdb LS-85800 2561

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BIAdb LS-85800 2561
Systematic (IUPAC) name
[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride
Identifiers
CAS number	?
ATC code	?
PubChem	28724
Chemical data
Formula	C₁₇H₂₂Cl₂N₂
Mol. mass	325.27598
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

325.27598

*Exact Mass

324.116004

*Molecular Formula

C₁₇H₂₂Cl₂N₂

*IUPAC NAME

[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride

*Canonical Smiles

C[NH+]1CCC2=CC=CC=C2C1CC3=CC=CC=C3[NH3+].[Cl-].[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

2

*Rotational Bond Count

2

*Topological Polar Surface Area

32.1