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Home > Pyridines > 126630-95-3
126630-95-3 | Pyridinium, 1-(phenylmethyl)-4-(1-piperidinyl)-, chloride (1:1)
CAS No: 126630-95-3 Catalog No: AG000T13 MDL No:
Product Description
Catalog Number:
AG000T13
Chemical Name:
Pyridinium, 1-(phenylmethyl)-4-(1-piperidinyl)-, chloride (1:1)
CAS Number:
126630-95-3
Molecular Formula:
C17H21ClN2
Molecular Weight:
288.8150
IUPAC Name:
1-benzyl-4-piperidin-1-ylpyridin-1-ium;chloride
InChI:
InChI=1S/C17H21N2.ClH/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19;/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2;1H/q+1;/p-1
InChI Key:
CTDHCIWSEUMBEL-UHFFFAOYSA-M
SMILES:
C1CCN(CC1)c1cc[n+](cc1)Cc1ccccc1.[Cl-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.819g/mol
Monoisotopic Mass:
288.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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