dimethyl-[3-[2-(2-morpholin-4-ylethyl)-5-nitro-benzimidazol-1-yl]propyl]azanium chloride

Systemtic Name: dimethyl-[3-[2-(2-morpholin-4-ylethyl)-5-nitro-benzimidazol-1-yl]propyl]azanium chloride Openeye Name: dimethyl-[3-[2-(2-morpholinoethyl)-5-nitro-benzimidazol-1-yl]propyl]ammonium chloride CAS Name: dimethyl-[3-[2-[2-(4-morpholinyl)ethyl]-5-nitro-1-benzimidazolyl]propyl]ammonium chloride IUPAC Name: dimethyl-[3-[2-(2-morpholin-4-ylethyl)-5-nitrobenzimidazol-1-yl]propyl]azanium chloride Traditional Name: dimethyl-[3-[2-(2-morpholinoethyl)-5-nitro-benzimidazol-1-yl]propyl]ammonium chloride Formula: C18H28ClN5O3 MolecularWeight: 397.89962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCOCC3.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCOCC3.[Cl-]

InChI

InChI=1S/C18H27N5O3.ClH/c1-20(2)7-3-8-22-17-5-4-15(23(24)25)14-16(17)19-18(22)6-9-21-10-12-26-13-11-21;/h4-5,14H,3,6-13H2,1-2H3;1H