1-(2-methoxyphenyl)-5-nitro-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole-2-thione CAS Name: 3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1-(2-methoxyphenyl)-5-nitro-2-benzimidazolethione IUPAC Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole-2-thione Traditional Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole-2-thione Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C20H22N4O4S/c1-28-19-5-3-2-4-17(19)23-16-7-6-14(24(26)27)12-18(16)22(20(23)29)13-21-10-8-15(25)9-11-21/h2-7,12,15,25H,8-11,13H2,1H3/p+1