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

Systemtic Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride hydrochloride Openeye Name: 1-(2-methoxyethyl)-2-methyl-3-(4-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride hydrochloride CAS Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride hydrochloride IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-4-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride hydrochloride Traditional Name: 1-(2-methoxyethyl)-2-methyl-3-(4-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-quinone chloride hydrochloride Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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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.Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N3O3.2ClH/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;2*1H/q+1;;/p-1