3-(2-methoxyethyl)-2-methyl-9-oxidanyl-1-(pyrazin-2-ylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide

Systemtic Name: 3-(2-methoxyethyl)-2-methyl-9-oxidanyl-1-(pyrazin-2-ylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide Openeye Name: 9-hydroxy-3-(2-methoxyethyl)-2-methyl-1-(pyrazin-2-ylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide CAS Name: 9-hydroxy-3-(2-methoxyethyl)-2-methyl-1-(2-pyrazinylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide IUPAC Name: 9-hydroxy-3-(2-methoxyethyl)-2-methyl-1-(pyrazin-2-ylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide Traditional Name: 9-hydroxy-3-(2-methoxyethyl)-2-methyl-1-(pyrazin-2-ylmethyl)-9H-benzo[f]benzimidazol-3-ium-4-one bromide Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CC3=NC=CN=C3)C(C4=CC=CC=C4C2=O)O)CCOC.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(N1CC3=NC=CN=C3)C(C4=CC=CC=C4C2=O)O)CCOC.[Br-]

InChI

InChI=1S/C20H21N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11,20,26H,9-10,12H2,1-2H3;1H/q+1;/p-1