Benz[cd]indolium, 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methyl-, acetate (salt)

92952-73-3

CAS Name

Benz[cd]indolium, 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methyl-, acetate (1:1)

Molecular Formula

C₂₂H₂₂ClN₂O.C₂H₃O₂

Other Names and Identifiers

InChI

InChI=1S/C22H22ClN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

InChIKey=GIAXHZDAQMKKKP-UHFFFAOYSA-M

SMILES

C[N+]=1C=2C3=C(C1C4=CC=C(N(CCO)CC)C=C4)C=CC=C3C(Cl)=CC2.C(C)([O-])=O

Canonical SMILES

O=C([O-])C.ClC1=CC=C2C3=C1C=CC=C3C(C=4C=CC(=CC4)N(CC)CCO)=[N+]2C

Other Names for this Substance