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

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1-(2-methoxyphenyl)-5-nitro-2-benzimidazolethione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole-2-thione Traditional Name: 3-[[(3R)-3-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+]4CCCC(C4)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C20H22N4O4S/c1-28-19-7-3-2-6-17(19)23-16-9-8-14(24(26)27)11-18(16)22(20(23)29)13-21-10-4-5-15(25)12-21/h2-3,6-9,11,15,25H,4-5,10,12-13H2,1H3/p+1/t15-/m1/s1