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Home > Indoles and Oxindole > 66902-73-6
66902-73-6 | BUTYLDIMETHYL(2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-METHYLETHYL)-AMMONIUM IODIDE
CAS No: 66902-73-6 Catalog No: AG006Q0B MDL No:
Product Description
Catalog Number:
AG006Q0B
Chemical Name:
BUTYLDIMETHYL(2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-METHYLETHYL)-AMMONIUM IODIDE
CAS Number:
66902-73-6
Molecular Formula:
C20H31IN2O
Molecular Weight:
442.3774
IUPAC Name:
2-(3-acetyl-2-methylindolizin-1-yl)propyl-butyl-dimethylazanium;iodide
InChI:
InChI=1S/C20H31N2O.HI/c1-7-8-13-22(5,6)14-15(2)19-16(3)20(17(4)23)21-12-10-9-11-18(19)21;/h9-12,15H,7-8,13-14H2,1-6H3;1H/q+1;/p-1
InChI Key:
IGRJLPJSBAYANH-UHFFFAOYSA-M
SMILES:
CCCC[N+](CC(c1c2ccccn2c(c1C)C(=O)C)C)(C)C.[I-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.385g/mol
Monoisotopic Mass:
442.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
21.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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