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

Systemtic Name: 1-(4-methoxyphenyl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione CAS Name: 1-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-(4-methoxyphenyl)-2-benzimidazolethione IUPAC Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCCC(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C20H23N3O2S/c1-25-17-10-8-15(9-11-17)23-19-7-3-2-6-18(19)22(20(23)26)14-21-12-4-5-16(24)13-21/h2-3,6-11,16,24H,4-5,12-14H2,1H3/p+1/t16-/m1/s1