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15495-06-4 | Piperidinium, 1-[2-[(9,10-dihydro-9,10-ethanoanthracen-9-yl)oxy]ethyl]-1-methyl-, iodide (1:1)
CAS No: 15495-06-4 Catalog No: AG001NIH MDL No:
Product Description
Catalog Number:
AG001NIH
Chemical Name:
Piperidinium, 1-[2-[(9,10-dihydro-9,10-ethanoanthracen-9-yl)oxy]ethyl]-1-methyl-, iodide (1:1)
CAS Number:
15495-06-4
Molecular Formula:
C24H30INO
Molecular Weight:
475.4056
IUPAC Name:
1-methyl-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidin-1-ium;iodide
InChI:
InChI=1S/C24H30NO.HI/c1-25(15-7-2-8-16-25)17-18-26-24-14-13-19(20-9-3-5-11-22(20)24)21-10-4-6-12-23(21)24;/h3-6,9-12,19H,2,7-8,13-18H2,1H3;1H/q+1;/p-1
InChI Key:
JLEXQHNOAWWFJU-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)CCOC12CCC(c3c1cccc3)c1c2cccc1.[I-]
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
475.414g/mol
Monoisotopic Mass:
475.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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