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110203-11-7 | Isoquinolinium, 2-(3-methylbutyl)-, iodide
CAS No: 110203-11-7 Catalog No: AG007DT2 MDL No:
Product Description
Catalog Number:
AG007DT2
Chemical Name:
Isoquinolinium, 2-(3-methylbutyl)-, iodide
CAS Number:
110203-11-7
Molecular Formula:
C14H18IN
Molecular Weight:
327.2039
IUPAC Name:
2-(3-methylbutyl)isoquinolin-2-ium;iodide
InChI:
InChI=1S/C14H18N.HI/c1-12(2)7-9-15-10-8-13-5-3-4-6-14(13)11-15;/h3-6,8,10-12H,7,9H2,1-2H3;1H/q+1;/p-1
InChI Key:
STHANCTVCXBZTJ-UHFFFAOYSA-M
SMILES:
CC(CC[n+]1ccc2c(c1)cccc2)C.[I-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.209g/mol
Monoisotopic Mass:
327.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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