5-chloranyl-2,3-dimethyl-1-phenyl-benzimidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-chloranyl-2,3-dimethyl-1-phenyl-benzimidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-chloro-2,3-dimethyl-1-phenyl-benzimidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-chloro-2,3-dimethyl-1-phenylbenzimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-chloro-2,3-dimethyl-1-phenylbenzimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-chloro-2,3-dimethyl-1-phenyl-benzimidazol-3-ium tosylate Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)C

InChI

InChI=1S/C15H14ClN2.C7H8O3S/c1-11-17(2)15-10-12(16)8-9-14(15)18(11)13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1