2-(5-chloranyl-2-methoxy-phenyl)-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate CAS Name: 2-(5-chloro-2-methoxyphenyl)-1,3-dimethylbenzimidazol-3-ium; methyl sulfate IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-1,3-dimethylbenzimidazol-3-ium; methyl sulfate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-1,3-dimethyl-benzimidazol-3-ium; methyl sulfate Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN2O.CH4O4S/c1-18-13-6-4-5-7-14(13)19(2)16(18)12-10-11(17)8-9-15(12)20-3;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1