2-[[2,2-bis(chloranyl)cyclopropyl]methylsulfanyl]-6-methoxy-1H-benzimidazol-3-ium

Systemtic Name: 2-[[2,2-bis(chloranyl)cyclopropyl]methylsulfanyl]-6-methoxy-1H-benzimidazol-3-ium Openeye Name: 2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-6-methoxy-1H-benzimidazol-3-ium CAS Name: 2-[(2,2-dichlorocyclopropyl)methylthio]-6-methoxy-1H-benzimidazol-3-ium IUPAC Name: 2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-6-methoxy-1H-benzimidazol-3-ium Traditional Name: 2-[(2,2-dichlorocyclopropyl)methylthio]-6-methoxy-1H-benzimidazol-3-ium Formula: C12H13Cl2N2OS+ MolecularWeight: 304.21542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC3CC3(Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC3CC3(Cl)Cl

InChI

InChI=1S/C12H12Cl2N2OS/c1-17-8-2-3-9-10(4-8)16-11(15-9)18-6-7-5-12(7,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)/p+1