2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-2-pyridin-1-iumyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-pyridin-1-ium-2-yl]methylthio]-1H-benzimidazole Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSC2=NC3=CC=CC=C3N2)[O-])OCCCOC

Isomeric SMILES

CC1=C(C=C[N+](=C1CSC2=NC3=CC=CC=C3N2)[O-])OCCCOC

InChI

InChI=1S/C18H21N3O3S/c1-13-16(21(22)9-8-17(13)24-11-5-10-23-2)12-25-18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)