methyl 2-[1-(dimethylsulfamoyl)-1-methoxy-benzimidazol-1-ium-2-yl]-6-methyl-pyridine-3-carboxylate

Systemtic Name: methyl 2-[1-(dimethylsulfamoyl)-1-methoxy-benzimidazol-1-ium-2-yl]-6-methyl-pyridine-3-carboxylate Openeye Name: methyl 2-[1-(dimethylsulfamoyl)-1-methoxy-benzimidazol-1-ium-2-yl]-6-methyl-pyridine-3-carboxylate CAS Name: 2-[1-(dimethylsulfamoyl)-1-methoxy-2-benzimidazol-1-iumyl]-6-methyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(dimethylsulfamoyl)-1-methoxybenzimidazol-1-ium-2-yl]-6-methylpyridine-3-carboxylate Traditional Name: 2-[1-(dimethylsulfamoyl)-1-methoxy-benzimidazol-1-ium-2-yl]-6-methyl-nicotinic acid methyl ester Formula: C18H21N4O5S+ MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)OC)C2=NC3=CC=CC=C3[N+]2(OC)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)OC)C2=NC3=CC=CC=C3[N+]2(OC)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H21N4O5S/c1-12-10-11-13(18(23)26-4)16(19-12)17-20-14-8-6-7-9-15(14)22(17,27-5)28(24,25)21(2)3/h6-11H,1-5H3/q+1