2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-6-phenylmethoxy-1H-benzimidazole

Systemtic Name: 2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-6-phenylmethoxy-1H-benzimidazole Openeye Name: 6-benzyloxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole CAS Name: 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methylsulfinyl]-6-phenylmethoxy-1H-benzimidazole IUPAC Name: 2-[(S)-(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methylsulfinyl]-6-phenylmethoxy-1H-benzimidazole Traditional Name: 6-benzoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-15-12-24-21(16(2)22(15)28-3)14-30(27)23-25-19-10-9-18(11-20(19)26-23)29-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,25,26)/p+1/t30-/m0/s1