3-[(2-methoxy-5-methyl-phenyl)methyl]-2-methylsulfonyl-1H-benzimidazol-3-ium

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methyl]-2-methylsulfonyl-1H-benzimidazol-3-ium Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)methyl]-2-methylsulfonyl-1H-benzimidazol-3-ium CAS Name: 3-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfonyl-1H-benzimidazol-3-ium IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfonyl-1H-benzimidazol-3-ium Traditional Name: 2-mesyl-3-(2-methoxy-5-methyl-benzyl)-1H-benzimidazol-3-ium Formula: C17H19N2O3S+ MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[N+]2=C(NC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[N+]2=C(NC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C17H18N2O3S/c1-12-8-9-16(22-2)13(10-12)11-19-15-7-5-4-6-14(15)18-17(19)23(3,20)21/h4-10H,11H2,1-3H3/p+1