2-dodecylisoquinoline; 4-methylbenzenesulfonate
Molecular Formula:
C28H39NO3S
InChI: InChI=1/C21H32N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,14-16,18-19H,2-10,13,17H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC21H32N.C7H7O3S/qm;-1
InChIKey: InChIKey=SZDIFSKUQQLAMT-YOYKJTQECG
SMILES: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Names:
ISOQUINOLINIUM, 2-DODECYL-, p-TOLUENESULFONATE
Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)
NSC 4486
2-dodecylisoquinoline; 4-methylbenzenesulfonate
2-Dodecylisoquinolinium p-toluenesulfonate
5412-37-3
Registries:
PubChem CID 21517
PubChem ID 164262
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