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1417793-27-1 | Methanone, 1-isoquinolinyl(2-methyl-1-piperazinyl)-, hydrochloride (1:1)
CAS No: 1417793-27-1 Catalog No: AG001H34 MDL No:
Product Description
Catalog Number:
AG001H34
Chemical Name:
Methanone, 1-isoquinolinyl(2-methyl-1-piperazinyl)-, hydrochloride (1:1)
CAS Number:
1417793-27-1
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
IUPAC Name:
isoquinolin-1-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
InChI:
InChI=1S/C15H17N3O.ClH/c1-11-10-16-8-9-18(11)15(19)14-13-5-3-2-4-12(13)6-7-17-14;/h2-7,11,16H,8-10H2,1H3;1H
InChI Key:
WXBBIUCFLPJUGS-UHFFFAOYSA-N
SMILES:
CC1CNCCN1C(=O)c1nccc2c1cccc2.Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.779g/mol
Monoisotopic Mass:
291.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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