2-(1,3-dimethylbenzimidazol-3-ium-2-yl)quinoline; methyl sulfate

Systemtic Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)quinoline; methyl sulfate Openeye Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)quinoline; methyl sulfate CAS Name: 2-(1,3-dimethyl-2-benzimidazol-3-iumyl)quinoline; methyl sulfate IUPAC Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)quinoline; methyl sulfate Traditional Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)quinoline; methyl sulfate Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C3=NC4=CC=CC=C4C=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C3=NC4=CC=CC=C4C=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H16N3.CH4O4S/c1-20-16-9-5-6-10-17(16)21(2)18(20)15-12-11-13-7-3-4-8-14(13)19-15;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1