3-(3-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-methyl-1-benzimidazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C11H15N2O3S+ MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCCS(=O)(=O)O

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCCS(=O)(=O)O

InChI

InChI=1S/C11H14N2O3S/c1-12-9-13(7-4-8-17(14,15)16)11-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/p+1