3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-sulfonate

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-sulfonate Openeye Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-sulfonate CAS Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-sulfonate IUPAC Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-sulfonate Traditional Name: 3-(4-chlorobenzyl)-1H-benzimidazol-3-ium-2-sulfonate Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C14H11ClN2O3S/c15-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)16-14(17)21(18,19)20/h1-8H,9H2,(H,18,19,20)