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517857-43-1 | (1Z)-N-Benzyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-iminium iodide
CAS No: 517857-43-1 Catalog No: AG01EWB4 MDL No:
Product Description
Catalog Number:
AG01EWB4
Chemical Name:
(1Z)-N-Benzyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-iminium iodide
CAS Number:
517857-43-1
Molecular Formula:
C17H24INO
Molecular Weight:
385.2830
IUPAC Name:
benzyl-(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium;iodide
InChI:
InChI=1S/C17H23NO.HI/c1-4-19-16-10-15(11-17(2,3)12-16)18-13-14-8-6-5-7-9-14;/h5-10H,4,11-13H2,1-3H3;1H
InChI Key:
FDZVCFZQFBVUMH-UHFFFAOYSA-N
SMILES:
CCOC1=C/C(=[NH+]\Cc2ccccc2)/CC(C1)(C)C.[I-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.289g/mol
Monoisotopic Mass:
385.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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