Ethyl 4-[(3E)-3-[(E)-3-(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Prop-2-Enylidene]-5,5-Dimethyl-1-Cyclohexenyl]Piperazine-1-Carboxylate Perchlorate
[CAS# 36755-19-8]

Identification

• Name: Ethyl 4-[(3E)-3-[(E)-3-(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Prop-2-Enylidene]-5,5-Dimethyl-1-Cyclohexenyl]Piperazine-1-Carboxylate Perchlorate
• Synonyms: 4-[(3E)-3-[(E)-3-(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Prop-2-Enylidene]-5,5-Dimethyl-1-Cyclohexenyl]-1-Piperazinecarboxylic Acid Ethyl Ester Perchlorate; 4-[(3E)-3-[(E)-3-(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Prop-2-Enylidene]-5,5-Dimethyl-1-Cyclohexenyl]Piperazine-1-Carboxylic Acid Ethyl Ester Perchlorate; 2-(3-(3-(4-(Ethoxycarbonyl)Piperazin-1-Yl)-5,5-Dimethylcyclohex-2-En-1-Ylidene)Prop-1-Enyl)-3-Ethylbenzothiazolium Perchlorate
• Molecular Formula: C₂₇H₃₆ClN₃O₆S
• Molecular Weight: 566.11
• CAS Registry Number: 36755-19-8
• EINECS: 253-188-3
• SMILES: O=[Cl]([O-])(=O)=O.C2=C1[N+](=C(SC1=CC=C2)C=CC=C4C=C(N3CCN(CC3)C(OCC)=O)CC(C4)(C)C)CC
• 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