3-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Openeye Name: 3-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid CAS Name: 3-(2,3,3-trimethyl-7-pyrrolo[2,3-b]pyridin-7-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Traditional Name: 3-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Formula: C13H19N2O3S+ MolecularWeight: 283.36656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C=CC=[N+]2CCCS(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C1(C)C)C=CC=[N+]2CCCS(=O)(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-10-13(2,3)11-6-4-7-15(12(11)14-10)8-5-9-19(16,17)18/h4,6-7H,5,8-9H2,1-3H3/p+1