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

Systemtic Name: 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl sulfate Openeye Name: 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl sulfate CAS Name: 3-(3-ethyl-2-methyl-1-benzimidazol-1-iumyl)propyl sulfate IUPAC Name: 3-(3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl sulfate Traditional Name: 3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl sulfate Formula: C13H18N2O4S MolecularWeight: 298.35802

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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