3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl hydrogen sulfate

Systemtic Name: 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl hydrogen sulfate Openeye Name: 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(3-ethyl-2-methyl-1-benzimidazol-1-iumyl)propyl ester IUPAC Name: 3-(3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl ester Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC=CC=C21)CCCOS(=O)(=O)O)C

Isomeric SMILES

CCN1C(=[N+](C2=CC=CC=C21)CCCOS(=O)(=O)O)C

InChI

InChI=1S/C13H18N2O4S/c1-3-14-11(2)15(9-6-10-19-20(16,17)18)13-8-5-4-7-12(13)14/h4-5,7-8H,3,6,9-10H2,1-2H3/p+1