1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione

Systemtic Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione Openeye Name: 1-(2-methoxyethyl)-2-methyl-3-(4-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione CAS Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione Traditional Name: 1-(2-methoxyethyl)-2-methyl-3-(4-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-quinone Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CC=NC=C4

Isomeric SMILES

CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CC=NC=C4

InChI

InChI=1S/C21H20N3O3/c1-14-23(11-12-27-2)18-19(24(14)13-15-7-9-22-10-8-15)21(26)17-6-4-3-5-16(17)20(18)25/h3-10H,11-13H2,1-2H3/q+1