5-chloranyl-2-(4-nitrophenyl)-1-(piperidin-1-ium-1-ylmethyl)benzimidazole chloride

Systemtic Name: 5-chloranyl-2-(4-nitrophenyl)-1-(piperidin-1-ium-1-ylmethyl)benzimidazole chloride Openeye Name: 5-chloro-2-(4-nitrophenyl)-1-(piperidin-1-ium-1-ylmethyl)benzimidazole chloride CAS Name: 5-chloro-2-(4-nitrophenyl)-1-(1-piperidin-1-iumylmethyl)benzimidazole chloride IUPAC Name: 5-chloro-2-(4-nitrophenyl)-1-(piperidin-1-ium-1-ylmethyl)benzimidazole chloride Traditional Name: 5-chloro-2-(4-nitrophenyl)-1-(piperidin-1-ium-1-ylmethyl)benzimidazole chloride Formula: C19H20Cl2N4O2 MolecularWeight: 407.2937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C19H19ClN4O2.ClH/c20-15-6-9-18-17(12-15)21-19(14-4-7-16(8-5-14)24(25)26)23(18)13-22-10-2-1-3-11-22;/h4-9,12H,1-3,10-11,13H2;1H