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21602-50-6 | 1-methyl-1-[1-(thiophen-3-yl)cyclohexyl]piperidinium iodide
CAS No: 21602-50-6 Catalog No: AG0070J8 MDL No:
Product Description
Catalog Number:
AG0070J8
Chemical Name:
1-methyl-1-[1-(thiophen-3-yl)cyclohexyl]piperidinium iodide
CAS Number:
21602-50-6
Molecular Formula:
C16H26INS
Molecular Weight:
391.3538
IUPAC Name:
1-methyl-1-(1-thiophen-3-ylcyclohexyl)piperidin-1-ium;iodide
InChI:
InChI=1S/C16H26NS.HI/c1-17(11-6-3-7-12-17)16(9-4-2-5-10-16)15-8-13-18-14-15;/h8,13-14H,2-7,9-12H2,1H3;1H/q+1;/p-1
InChI Key:
FUOPLBCOTQBKGY-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)C1(CCCCC1)c1cscc1.[I-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.355g/mol
Monoisotopic Mass:
391.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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