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Substance Name: Benzothiazolium, 2-(3-(3-(4-(ethoxycarbonyl)-1-piperazinyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propen-1-yl)-3-ethyl-, perchlorate (1:1)
RN: 36755-19-8
InChIKey: VBCUGCNEFSBBMY-UHFFFAOYSA-M

Molecular Formula

  • C27-H36-N3-O2-S.Cl-O4

Molecular Weight

  • 566.115
 
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Names and Synonyms

Synonym

  • EINECS 253-188-3

Systematic Names

  • 2-(3-(3-(4-(Ethoxycarbonyl)piperazin-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene)prop-1-enyl)-3-ethylbenzothiazolium perchlorate
  • Benzothiazolium, 2-(3-(3-(4-(ethoxycarbonyl)-1-piperazinyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propen-1-yl)-3-ethyl-, perchlorate (1:1)
  • Benzothiazolium, 2-(3-(3-(4-(ethoxycarbonyl)-1-piperazinyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl)-3-ethyl-, perchlorate

Registry Numbers

CAS Registry Number

  • 36755-19-8

System Generated Number

  • 0036755198

Molecular Formulas

Molecular Formula

  • C27-H36-N3-O2-S.Cl-O4

Molecular Formula Fragments

  • C27-H36-N3-O2-S
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H36N3O2S.ClHO4/c1-5-30-23-11-7-8-12-24(23)33-25(30)13-9-10-21-18-22(20-27(3,4)19-21)28-14-16-29(17-15-28)26(31)32-6-2;2-1(3,4)5/h7-13,18H,5-6,14-17,19-20H2,1-4H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

VBCUGCNEFSBBMY-UHFFFAOYSA-M

Smiles

s1c(\C=C\C=C2\C=C(CC(C2)(C)C)N2CCN(CC2)C(=O)OCC)[n+](CC)c2ccccc12.Cl(=O)(=O)([O-])=O