Home Carbonyls 3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-imidazol-3-ium iodide

3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-imidazol-3-ium iodide

CAS No.:
223762-23-0
Catalog Number:
AG019QR5
Molecular Formula:
C14H16IN3O
Molecular Weight:
369.2008
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Product Description
Catalog Number:
AG019QR5
Chemical Name:
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-imidazol-3-ium iodide
CAS Number:
223762-23-0
Molecular Formula:
C14H16IN3O
Molecular Weight:
369.2008
MDL Number:
MFCD11099740
IUPAC Name:
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylimidazol-3-ium-1-yl)methanone;iodide
InChI:
InChI=1S/C14H16N3O.HI/c1-15-8-9-17(11-15)14(18)16-7-6-12-4-2-3-5-13(12)10-16;/h2-5,8-9,11H,6-7,10H2,1H3;1H/q+1;/p-1
InChI Key:
BPEZTVYDOPXTKQ-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N1CCc2c(C1)cccc2.[I-]
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.034g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.206g/mol
Monoisotopic Mass:
369.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties