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

Systemtic Name: 3-(6-butoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(6-butoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-[6-[butoxy(oxo)methyl]-3-ethyl-2-methyl-1-benzimidazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-(6-butoxycarbonyl-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(6-butoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-6-11-25-18(21)15-8-9-16-17(13-15)20(14(3)19(16)5-2)10-7-12-26(22,23)24/h8-9,13H,4-7,10-12H2,1-3H3/p+1