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20763-36-4 | Piperidinium, 1-(3,3-diphenylpropyl)-1-methyl-, iodide (1:1)
CAS No: 20763-36-4 Catalog No: AG002J6U MDL No:
Product Description
Catalog Number:
AG002J6U
Chemical Name:
Piperidinium, 1-(3,3-diphenylpropyl)-1-methyl-, iodide (1:1)
CAS Number:
20763-36-4
Molecular Formula:
C21H28IN
Molecular Weight:
421.3582
IUPAC Name:
1-(3,3-diphenylpropyl)-1-methylpiperidin-1-ium;iodide
InChI:
InChI=1S/C21H28N.HI/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3;1H/q+1;/p-1
InChI Key:
VEKKCXHOVQMREZ-UHFFFAOYSA-M
SMILES:
C[N+]1(CCC(c2ccccc2)c2ccccc2)CCCCC1.[I-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.366g/mol
Monoisotopic Mass:
421.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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