1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)pyrrole-3-sulfonate

Systemtic Name: 1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)pyrrole-3-sulfonate Openeye Name: 1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)pyrrole-3-sulfonate CAS Name: 1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-pyrrolesulfonate IUPAC Name: 1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)pyrrole-3-sulfonate Traditional Name: 1-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)pyrrole-3-sulfonate Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=[N+](C3=CC=CC=C3N2)C)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C2=[N+](C3=CC=CC=C3N2)C)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-15-8-9(20(17,18)19)7-12(15)13-14-10-5-3-4-6-11(10)16(13)2/h3-8H,1-2H3,(H,17,18,19)