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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-p-phenetyl-benzimidazole-2-thione Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCCC(C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C21H25N3O2S/c1-2-26-18-11-9-16(10-12-18)24-20-8-4-3-7-19(20)23(21(24)27)15-22-13-5-6-17(25)14-22/h3-4,7-12,17,25H,2,5-6,13-15H2,1H3/p+1/t17-/m1/s1