3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propane-1-sulfonate

Systemtic Name: 3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propane-1-sulfonate Openeye Name: 3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propane-1-sulfonate CAS Name: 3-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]-1-propanesulfonate IUPAC Name: 3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propane-1-sulfonate Traditional Name: 3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propane-1-sulfonate Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCS(=O)(=O)[O-])N(C)C

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCS(=O)(=O)[O-])N(C)C

InChI

InChI=1S/C20H25N3O3S/c1-21(2)17-8-6-15-12-16-7-9-18(22(3)4)14-20(16)23(19(15)13-17)10-5-11-27(24,25)26/h6-9,12-14H,5,10-11H2,1-4H3