AC1L4IJZ structure

AC1L4IJZ

2,11-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,10-diol iodide

Also Known As: N-Methyl-4-piperidyl 4-azidobenzilate|4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,10-dihydroxy-2,11-dimethoxy-6,6-dimethyl-, iodide

CAS: 81038-63-3
Molecular Formula C20H24INO4
Molecular Weight 469.075 g/mol
LogP 0.0157
Topological Polar Surface Area 58.9 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 469.075
Monoisotopic Mass 469.075
Heavy Atoms 26
Complexity 498.0

Chemical Identifiers

CAS Number 81038-63-3
SMILES C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)O)OC)O)OC)C.[I-]
InChIKey XWXAXKZJJDGUCC-UHFFFAOYSA-N

Product Overview

AC1L4IJZ (CAS 81038-63-3), with molecular formula C20H24INO4 and molecular weight 469.075 g/mol. IUPAC: 2,11-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,10-diol iodide.

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