2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol

Systemtic Name: 2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol Openeye Name: 2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol CAS Name: 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methylsulfinyl]-3H-benzimidazol-5-ol IUPAC Name: 2-[(S)-(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol Traditional Name: 2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)O

InChI

InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)/p+1/t23-/m0/s1