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

Systemtic Name: 5-nitro-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1-phenyl-benzimidazole-2-thione Openeye Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-nitro-1-phenyl-benzimidazole-2-thione CAS Name: 3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-nitro-1-phenyl-2-benzimidazolethione IUPAC Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-nitro-1-phenylbenzimidazole-2-thione Traditional Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-nitro-1-phenyl-benzimidazole-2-thione Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S/c24-16-8-10-20(11-9-16)13-21-18-12-15(23(25)26)6-7-17(18)22(19(21)27)14-4-2-1-3-5-14/h1-7,12,16,24H,8-11,13H2/p+1