2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-methyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-methyl-1H-benzimidazol-3-ium Formula: C17H16ClN2O2S+ MolecularWeight: 347.83914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C17H15ClN2O2S/c1-10-2-3-14-15(4-10)20-17(19-14)23-8-12-6-13(18)5-11-7-21-9-22-16(11)12/h2-6H,7-9H2,1H3,(H,19,20)/p+1