1-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione

Systemtic Name: 1-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione Openeye Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione CAS Name: 1-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione IUPAC Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-phenyl-4,5,6,7-tetrahydrobenzimidazole-2-thione Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC[C@H](C4)O

InChI

InChI=1S/C19H25N3OS/c23-16-9-6-12-20(13-16)14-21-17-10-4-5-11-18(17)22(19(21)24)15-7-2-1-3-8-15/h1-3,7-8,16,23H,4-6,9-14H2/p+1/t16-/m1/s1