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78317-77-8 | Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-phenyl-, iodide
CAS No: 78317-77-8 Catalog No: AG005C03 MDL No:
Product Description
Catalog Number:
AG005C03
Chemical Name:
Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-phenyl-, iodide
CAS Number:
78317-77-8
Molecular Formula:
C16H18IN
Molecular Weight:
351.2253
IUPAC Name:
2-methyl-2-phenyl-3,4-dihydro-1H-isoquinolin-2-ium;iodide
InChI:
InChI=1S/C16H18N.HI/c1-17(16-9-3-2-4-10-16)12-11-14-7-5-6-8-15(14)13-17;/h2-10H,11-13H2,1H3;1H/q+1;/p-1
InChI Key:
IVNYAMSXQHSVBY-UHFFFAOYSA-M
SMILES:
C[N+]1(CCc2c(C1)cccc2)c1ccccc1.[I-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.231g/mol
Monoisotopic Mass:
351.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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