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98347-93-4 | 1-BUTYL-4-FORMYL-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS No: 98347-93-4 Catalog No: AG0068N6 MDL No:
Product Description
Catalog Number:
AG0068N6
Chemical Name:
1-BUTYL-4-FORMYL-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS Number:
98347-93-4
Molecular Formula:
C17H26INO
Molecular Weight:
387.2989
IUPAC Name:
1-butyl-1-methyl-4-phenylpiperidin-1-ium-4-carbaldehyde;iodide
InChI:
InChI=1S/C17H26NO.HI/c1-3-4-12-18(2)13-10-17(15-19,11-14-18)16-8-6-5-7-9-16;/h5-9,15H,3-4,10-14H2,1-2H3;1H/q+1;/p-1
InChI Key:
ILDSQLIPCCKGPG-UHFFFAOYSA-M
SMILES:
CCCC[N+]1(C)CCC(CC1)(C=O)c1ccccc1.[I-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.305g/mol
Monoisotopic Mass:
387.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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