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87993-10-0 | Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide
CAS No: 87993-10-0 Catalog No: AG004O9L MDL No:
Product Description
Catalog Number:
AG004O9L
Chemical Name:
Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide
CAS Number:
87993-10-0
Molecular Formula:
C17H20IN
Molecular Weight:
365.2519
IUPAC Name:
2-benzyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;iodide
InChI:
InChI=1S/C17H20N.HI/c1-18(13-15-7-3-2-4-8-15)12-11-16-9-5-6-10-17(16)14-18;/h2-10H,11-14H2,1H3;1H/q+1;/p-1
InChI Key:
GXCPUKCAOWJOLE-UHFFFAOYSA-M
SMILES:
C[N+]1(CCc2c(C1)cccc2)Cc1ccccc1.[I-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.258g/mol
Monoisotopic Mass:
365.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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