3-[3-azanyl-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzenesulfonic acid

Systemtic Name: 3-[3-azanyl-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzenesulfonic acid Openeye Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzenesulfonic acid CAS Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethyl-5-phenazin-5-iumyl]benzenesulfonic acid IUPAC Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethylphenazin-5-ium-5-yl]benzenesulfonic acid Traditional Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]besylic acid Formula: C22H23N4O3S+ MolecularWeight: 423.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C3C=CC(=CC3=[N+]2C4=CC(=CC=C4)S(=O)(=O)O)N(C)C)N

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C3C=CC(=CC3=[N+]2C4=CC(=CC=C4)S(=O)(=O)O)N(C)C)N

InChI

InChI=1S/C22H22N4O3S/c1-13-14(2)22-21(12-18(13)23)26(16-6-5-7-17(10-16)30(27,28)29)20-11-15(25(3)4)8-9-19(20)24-22/h5-12,23H,1-4H3,(H,27,28,29)/p+1