Catalog Number:
AG01FFLQ
Chemical Name:
Dibenz[c,h]acridinium, 5,6,8,9-tetrahydro-14-[3-[(methylsulfonyl)amino]propyl]-7-phenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
457602-06-1
Molecular Formula:
C32H31F3N2O5S2
Molecular Weight:
644.7241
MDL Number:
MFCD00961178
IUPAC Name:
N-[3-(13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaen-2-yl)propyl]methanesulfonamide;trifluoromethanesulfonate
InChI:
InChI=1S/C31H31N2O2S.CHF3O3S/c1-36(34,35)32-20-9-21-33-30-25-14-7-5-10-22(25)16-18-27(30)29(24-12-3-2-4-13-24)28-19-17-23-11-6-8-15-26(23)31(28)33;2-1(3,4)8(5,6)7/h2-8,10-15,32H,9,16-21H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
CTVQPOUFRMLYAB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)NCCC[n+]1c2c3ccccc3CCc2c(c2c1c1ccccc1CC2)c1ccccc1
