6,9-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide

Systemtic Name: 6,9-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide Openeye Name: 6,9-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-amine bromide CAS Name: 6,9-dimethoxy-2,3-dimethyl-4-(1-pyridin-1-iumyl)-1-phenazinamine bromide IUPAC Name: 6,9-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-ylphenazin-1-amine bromide Traditional Name: (6,9-dimethoxy-2,3-dimethyl-4-pyridin-1-ium-1-yl-phenazin-1-yl)amine bromide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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