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102207-29-4 | Piperidinium, 3-[(diphenylmethoxy)methyl]-1,1-dimethyl-, bromide (1:1)
CAS No: 102207-29-4 Catalog No: AG0006WF MDL No:
Product Description
Catalog Number:
AG0006WF
Chemical Name:
Piperidinium, 3-[(diphenylmethoxy)methyl]-1,1-dimethyl-, bromide (1:1)
CAS Number:
102207-29-4
Molecular Formula:
C21H28BrNO
Molecular Weight:
390.3571
IUPAC Name:
3-(benzhydryloxymethyl)-1,1-dimethylpiperidin-1-ium;bromide
InChI:
InChI=1S/C21H28NO.BrH/c1-22(2)15-9-10-18(16-22)17-23-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,18,21H,9-10,15-17H2,1-2H3;1H/q+1;/p-1
InChI Key:
UXBXQFIZGAOVFH-UHFFFAOYSA-M
SMILES:
C[N+]1(C)CCCC(C1)COC(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.365g/mol
Monoisotopic Mass:
389.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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