1H-benzimidazol-1-ium-2-ylmethyl-methyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium dichloride

Systemtic Name: 1H-benzimidazol-1-ium-2-ylmethyl-methyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium dichloride Openeye Name: 1H-benzimidazol-1-ium-2-ylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]-methyl-ammonium dichloride CAS Name: 1H-benzimidazol-1-ium-2-ylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]-methylammonium dichloride IUPAC Name: 1H-benzimidazol-1-ium-2-ylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]-methylazanium dichloride Traditional Name: 1H-benzimidazol-1-ium-2-ylmethyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]-methyl-ammonium dichloride Formula: C18H22Cl2N4O4 MolecularWeight: 429.29768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2[NH2+]1)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2[NH2+]1)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.[Cl-].[Cl-]

InChI

InChI=1S/C18H20N4O4.2ClH/c1-21(11-18-19-16-4-2-3-5-17(16)20-18)10-14(23)12-26-15-8-6-13(7-9-15)22(24)25;;/h2-9,14,23H,10-12H2,1H3,(H,19,20);2*1H