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Home > Pyridines > 138965-40-9
138965-40-9 | Pyridinium, 1-(phenylmethyl)-3,5-bis(1-pyrrolidinylcarbonyl)-, chloride (1:1)
CAS No: 138965-40-9 Catalog No: AG0019X6 MDL No:
Product Description
Catalog Number:
AG0019X6
Chemical Name:
Pyridinium, 1-(phenylmethyl)-3,5-bis(1-pyrrolidinylcarbonyl)-, chloride (1:1)
CAS Number:
138965-40-9
Molecular Formula:
C22H26ClN3O2
Molecular Weight:
399.9137
IUPAC Name:
[1-benzyl-5-(pyrrolidine-1-carbonyl)pyridin-1-ium-3-yl]-pyrrolidin-1-ylmethanone;chloride
InChI:
InChI=1S/C22H26N3O2.ClH/c26-21(24-10-4-5-11-24)19-14-20(22(27)25-12-6-7-13-25)17-23(16-19)15-18-8-2-1-3-9-18;/h1-3,8-9,14,16-17H,4-7,10-13,15H2;1H/q+1;/p-1
InChI Key:
VBILPMPLMYVNJT-UHFFFAOYSA-M
SMILES:
O=C(c1cc(c[n+](c1)Cc1ccccc1)C(=O)N1CCCC1)N1CCCC1.[Cl-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.171g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.919g/mol
Monoisotopic Mass:
399.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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