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102207-38-5 | Piperidinium, 1-methyl-1-[tetrahydro-4-(2-thienyl)-2H-thiopyran-4-yl]-, iodide (1:1)
CAS No: 102207-38-5 Catalog No: AG0006XM MDL No:
Product Description
Catalog Number:
AG0006XM
Chemical Name:
Piperidinium, 1-methyl-1-[tetrahydro-4-(2-thienyl)-2H-thiopyran-4-yl]-, iodide (1:1)
CAS Number:
102207-38-5
Molecular Formula:
C15H24INS2
Molecular Weight:
409.3922
IUPAC Name:
1-methyl-1-(4-thiophen-2-ylthian-4-yl)piperidin-1-ium;iodide
InChI:
InChI=1S/C15H24NS2.HI/c1-16(9-3-2-4-10-16)15(7-12-17-13-8-15)14-6-5-11-18-14;/h5-6,11H,2-4,7-10,12-13H2,1H3;1H/q+1;/p-1
InChI Key:
APNNINCZDCRSGG-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)C1(CCSCC1)c1cccs1.[I-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.388g/mol
Monoisotopic Mass:
409.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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