diethyl-[2-[2-[[2-(methylamino)-5-nitro-phenyl]carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[[2-(methylamino)-5-nitro-phenyl]carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[[2-(methylamino)-5-nitro-benzoyl]amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[[2-(methylamino)-5-nitrophenyl]-oxomethyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[[2-(methylamino)-5-nitrobenzoyl]amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[[2-(methylamino)-5-nitro-benzoyl]amino]benzimidazol-1-yl]ethyl]ammonium Formula: C21H27N6O3+ MolecularWeight: 411.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C21H26N6O3/c1-4-25(5-2)12-13-26-19-9-7-6-8-18(19)23-21(26)24-20(28)16-14-15(27(29)30)10-11-17(16)22-3/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,24,28)/p+1