2-(2-(2-CHLORO-3-(2-(1-METHYLQUINOLIDINE-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-1-METHYLQUINOLINIUM 4-METHYLBENZENESULFONATE

CAS No.
287194-09-6
CCD No.
CCD00356928
Formula
C30 H30 Cl N2 . C7 H7 O3 S
MolWeight
625.229

Basic Information

Product Name: 2-(2-(2-CHLORO-3-(2-(1-METHYLQUINOLIDINE-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-1-METHYLQUINOLINIUM 4-METHYLBENZENESULFONATE
CAS: 287194-09-6
English Synonyms: 2-(2-(2-CHLORO-3-(2-(1-METHYLQUINOLIDINE-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-1-METHYLQUINOLINIUM 4-METHYLBENZENESULFONATE
MDL Number.: MFCD03093210
H bond acceptor: 2
H bond donor: 0
Smile: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1c(ccc2c1cccc2)/C=C/C3=C(/C(=C/C=C/4\CCc5ccccc5N4C)/CCC3)Cl
InChi: InChI=1S/C30H30ClN2.C7H8O3S/c1-32-26(18-14-22-8-3-5-12-28(22)32)20-16-24-10-7-11-25(30(24)31)17-21-27-19-15-23-9-4-6-13-29(23)33(27)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8-9,12-14,16-18,20-21H,7,10-11,15,19H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChiKey: InChIKey=JFQCKSFLYYRFAB-UHFFFAOYSA-M

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