2-[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C22H25N5O3/c1-15-5-10-20(16(2)13-15)26-21(22(28)23-11-12-25(3)4)14-19(24-26)17-6-8-18(9-7-17)27(29)30/h5-10,13-14H,11-12H2,1-4H3,(H,23,28)/p+1