3-(5-bromanyl-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-bromanyl-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Openeye Name: 3-(5-bromo-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid CAS Name: 3-(5-bromo-2,3,3-trimethyl-7-pyrrolo[2,3-b]pyridin-7-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(5-bromo-2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Traditional Name: 3-(5-bromo-2,3,3-trimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonic acid Formula: C13H18BrN2O3S+ MolecularWeight: 362.26262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C=C(C=C2C1(C)C)Br)CCCS(=O)(=O)O

Isomeric SMILES

CC1=NC2=[N+](C=C(C=C2C1(C)C)Br)CCCS(=O)(=O)O

InChI

InChI=1S/C13H17BrN2O3S/c1-9-13(2,3)11-7-10(14)8-16(12(11)15-9)5-4-6-20(17,18)19/h7-8H,4-6H2,1-3H3/p+1