dimethyl-[3-[5-nitro-2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium chloride

Systemtic Name: dimethyl-[3-[5-nitro-2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium chloride Openeye Name: 3-(2-benzyl-5-nitro-benzimidazol-1-yl)propyl-dimethyl-ammonium chloride CAS Name: dimethyl-[3-[5-nitro-2-(phenylmethyl)-1-benzimidazolyl]propyl]ammonium chloride IUPAC Name: 3-(2-benzyl-5-nitrobenzimidazol-1-yl)propyl-dimethylazanium chloride Traditional Name: 3-(2-benzyl-5-nitro-benzimidazol-1-yl)propyl-dimethyl-ammonium chloride Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H22N4O2.ClH/c1-21(2)11-6-12-22-18-10-9-16(23(24)25)14-17(18)20-19(22)13-15-7-4-3-5-8-15;/h3-5,7-10,14H,6,11-13H2,1-2H3;1H