Dimethylcycleanine
Molecular Formula:
C
40
H
48
Br
2
N
2
O
6
InChI:
InChI=1/C40H48N2O6.2BrH/c1-41(2)19-17-27-23-33(43-5)37(45-7)39-35(27)31(41)21-25-9-13-30(14-10-25)48-40-36-28(24-34(44-6)38(40)46-8)18-20-42(3,4)32(36)22-26-11-15-29(47-39)16-12-26;;/h9-16,23-24,31-32H,17-22H2,1-8H3;2*1H/q+2;;/p-2/t31-,32-;;/m1../s1/fC40H48N2O6.2Br/h;2*1h/qm;2*-1
InChIKey:
InChIKey=PLXGCAIEWRLPEO-ZTXLSRNQDE
SMILES:
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)OC)C.[Br-].[Br-]
Names:
CYCLEANINIUM, 2,2'-DIMETHYL-, DIBROMIDE
Dimethylcycleanine bromide
Dimethylcycleanine
75846-14-9
Registries:
PubChem CID 53368
PubChem ID 191210