3-(3H-benzimidazol-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3H-benzimidazol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3H-benzimidazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3H-benzimidazol-1-ium-1-yl)-1-propanesulfonate IUPAC Name: 3-(3H-benzimidazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3H-benzimidazol-1-ium-1-yl)propane-1-sulfonate Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O3S/c13-16(14,15)7-3-6-12-8-11-9-4-1-2-5-10(9)12/h1-2,4-5,8H,3,6-7H2,(H,13,14,15)