7,8-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide

Systemtic Name: 7,8-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide Openeye Name: 7,8-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide CAS Name: 7,8-dimethoxy-2,3-dimethyl-4-(1-pyridin-1-iumyl)-1-phenazinamine bromide IUPAC Name: 7,8-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-ylphenazin-1-amine bromide Traditional Name: (7,8-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-yl)amine bromide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC(=C(C=C3N=C2C(=C1C)[N+]4=CC=CC=C4)OC)OC)N.[Br-]

Isomeric SMILES

CC1=C(C2=NC3=CC(=C(C=C3N=C2C(=C1C)[N+]4=CC=CC=C4)OC)OC)N.[Br-]

InChI

InChI=1S/C21H21N4O2.BrH/c1-12-13(2)21(25-8-6-5-7-9-25)20-19(18(12)22)23-14-10-16(26-3)17(27-4)11-15(14)24-20;/h5-11H,22H2,1-4H3;1H/q+1;/p-1