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97595-14-7

97595-14-7 | 4-FORMYL-1-METHYL-4-PHENYL-1-PROPYLPIPERIDINIUM IODIDE

CAS No: 97595-14-7 Catalog No: AG005YV2 MDL No:

Product Description

Catalog Number:
AG005YV2
Chemical Name:
4-FORMYL-1-METHYL-4-PHENYL-1-PROPYLPIPERIDINIUM IODIDE
CAS Number:
97595-14-7
Molecular Formula:
C16H24INO
Molecular Weight:
373.2723
IUPAC Name:
1-methyl-4-phenyl-1-propylpiperidin-1-ium-4-carbaldehyde;iodide
InChI:
InChI=1S/C16H24NO.HI/c1-3-11-17(2)12-9-16(14-18,10-13-17)15-7-5-4-6-8-15;/h4-8,14H,3,9-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
WABLOUSAZHTDSM-UHFFFAOYSA-M
SMILES:
CCC[N+]1(C)CCC(CC1)(C=O)c1ccccc1.[I-]

Properties

Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.278g/mol
Monoisotopic Mass:
373.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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