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97595-13-6 | 4-FORMYL-1-ISOPROPYL-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS No: 97595-13-6 Catalog No: AG00H88Q MDL No:
Product Description
Catalog Number:
AG00H88Q
Chemical Name:
4-FORMYL-1-ISOPROPYL-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE
CAS Number:
97595-13-6
Molecular Formula:
C16H24INO
Molecular Weight:
373.2723
IUPAC Name:
1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-carbaldehyde;iodide
InChI:
InChI=1S/C16H24NO.HI/c1-14(2)17(3)11-9-16(13-18,10-12-17)15-7-5-4-6-8-15;/h4-8,13-14H,9-12H2,1-3H3;1H/q+1;/p-1
InChI Key:
FIDOKMNXZMBJBY-UHFFFAOYSA-M
SMILES:
O=CC1(CC[N+](CC1)(C)C(C)C)c1ccccc1.[I-]
Properties
Complexity:
284
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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