3-(6-decoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-decoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(6-decoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-[6-[decoxy(oxo)methyl]-3-ethyl-2-methyl-1-benzimidazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-(6-decoxycarbonyl-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(6-decoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C24H39N2O5S+ MolecularWeight: 467.64186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCCS(=O)(=O)O)C)CC

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCCS(=O)(=O)O)C)CC

InChI

InChI=1S/C24H38N2O5S/c1-4-6-7-8-9-10-11-12-17-31-24(27)21-14-15-22-23(19-21)26(20(3)25(22)5-2)16-13-18-32(28,29)30/h14-15,19H,4-13,16-18H2,1-3H3/p+1