Thonzonium bromide

CAS Registry Number®

553-08-2

CAS Name

Thonzonium bromide

Molecular Formula

C32H55N4O.Br

Cite this Page

Thonzonium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=553-08-2 (retrieved 2024-11-22) (CAS RN: 553-08-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    91.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=WBWDWFZTSDZAIG-UHFFFAOYSA-M

SMILES

N(CC1=CC=C(OC)C=C1)(CC[N+](CCCCCCCCCCCCCCCC)(C)C)C=2N=CC=CN2.[Br-]

Canonical SMILES

[Br-].N=1C=CC=NC1N(CC2=CC=C(OC)C=C2)CC[N+](C)(C)CCCCCCCCCCCCCCCC

Other Names for this Substance

  • 1-Hexadecanaminium, N-[2-[[(4-methoxyphenyl)methyl]-2-pyrimidinylamino]ethyl]-N,N-dimethyl-, bromide (1:1)
  • Ammonium, hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethyl-, bromide
  • Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide
  • 1-Hexadecanaminium, N-[2-[[(4-methoxyphenyl)methyl]-2-pyrimidinylamino]ethyl]-N,N-dimethyl-, bromide
  • NC 1264

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