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20226-05-5 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 20226-05-5 Catalog No: AG00285G MDL No:
Product Description
Catalog Number:
AG00285G
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
20226-05-5
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride
InChI:
InChI=1S/C18H21NO2.ClH/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13;/h3-7,11-12,16,19H,8-10H2,1-2H3;1H
InChI Key:
DNQXTZKEFIGUGG-UHFFFAOYSA-N
SMILES:
COc1cc2C(NCCc2cc1OC)Cc1ccccc1.Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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