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682153-65-7 | Isoquinolinium, 2-[(1S)-1-phenylethyl]-, chloride
CAS No: 682153-65-7 Catalog No: AG005LP9 MDL No:
Product Description
Catalog Number:
AG005LP9
Chemical Name:
Isoquinolinium, 2-[(1S)-1-phenylethyl]-, chloride
CAS Number:
682153-65-7
Molecular Formula:
C17H16ClN
Molecular Weight:
269.7686
IUPAC Name:
2-[(1S)-1-phenylethyl]isoquinolin-2-ium;chloride
InChI:
InChI=1S/C17H16N.ClH/c1-14(15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18;/h2-14H,1H3;1H/q+1;/p-1/t14-;/m0./s1
InChI Key:
MJSWXOCRXUQKAB-UQKRIMTDSA-M
SMILES:
C[C@H]([n+]1ccc2c(c1)cccc2)c1ccccc1.[Cl-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.772g/mol
Monoisotopic Mass:
269.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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