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23488-68-8 | Piperidinium, 1-[4-([1,1'-biphenyl]-2-yloxy)butyl]-1-ethyl-, bromide (1:1)
CAS No: 23488-68-8 Catalog No: AG002NDX MDL No:
Product Description
Catalog Number:
AG002NDX
Chemical Name:
Piperidinium, 1-[4-([1,1'-biphenyl]-2-yloxy)butyl]-1-ethyl-, bromide (1:1)
CAS Number:
23488-68-8
Molecular Formula:
C23H32BrNO
Molecular Weight:
418.4103
IUPAC Name:
1-ethyl-1-[4-(2-phenylphenoxy)butyl]piperidin-1-ium;bromide
InChI:
InChI=1S/C23H32NO.BrH/c1-2-24(17-9-4-10-18-24)19-11-12-20-25-23-16-8-7-15-22(23)21-13-5-3-6-14-21;/h3,5-8,13-16H,2,4,9-12,17-20H2,1H3;1H/q+1;/p-1
InChI Key:
BPUDAUVZWCRUPO-UHFFFAOYSA-M
SMILES:
CC[N+]1(CCCCOc2ccccc2c2ccccc2)CCCCC1.[Br-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.419g/mol
Monoisotopic Mass:
417.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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