Catalog Number:
AG004KC5
Chemical Name:
Isoquinolinium, 2-[(octylthio)methyl]-, chloride
CAS Number:
87447-53-8
Molecular Formula:
C18H26ClNS
Molecular Weight:
323.9237
IUPAC Name:
2-(octylsulfanylmethyl)isoquinolin-2-ium;chloride
InChI:
InChI=1S/C18H26NS.ClH/c1-2-3-4-5-6-9-14-20-16-19-13-12-17-10-7-8-11-18(17)15-19;/h7-8,10-13,15H,2-6,9,14,16H2,1H3;1H/q+1;/p-1
InChI Key:
AQQGAMWDHQICMQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCSC[n+]1ccc2c(c1)cccc2.[Cl-]