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

Systemtic Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole Openeye Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridin-1-iumyl]methylsulfonyl]-1H-benzimidazole IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCCCOC

Isomeric SMILES

CC1=C(C=C[NH+]=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCCCOC

InChI

InChI=1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/p+1