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101911-90-4 | Carbonic acid, phenyl 3-(1-piperidinyl)-1-(2-thienyl)propyl ester, hydrochloride (9CI)
CAS No: 101911-90-4 Catalog No: AG0005Y4 MDL No:
Product Description
Catalog Number:
AG0005Y4
Chemical Name:
Carbonic acid, phenyl 3-(1-piperidinyl)-1-(2-thienyl)propyl ester, hydrochloride (9CI)
CAS Number:
101911-90-4
Molecular Formula:
C19H24ClNO3S
Molecular Weight:
381.9168
IUPAC Name:
(3-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropyl) hydrogen carbonate;hydrochloride
InChI:
InChI=1S/C19H23NO3S.ClH/c21-19(22)23-17(18-10-7-13-24-18)14-16(15-8-3-1-4-9-15)20-11-5-2-6-12-20;/h1,3-4,7-10,13,16-17H,2,5-6,11-12,14H2,(H,21,22);1H
InChI Key:
XSFZOSLKBPEULD-UHFFFAOYSA-N
SMILES:
O=C(OC(c1cccs1)CCN1CCCCC1)Oc1ccccc1.Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.915g/mol
Monoisotopic Mass:
381.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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