2-[2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C17H21ClN7O3+ MolecularWeight: 406.84674

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN7O3/c1-3-23(4-2)9-10-24-12-8-6-5-7-11(12)19-17(24)20-16(26)14-13(18)15(22-21-14)25(27)28/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)(H,19,20,26)/p+1