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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+](C)C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+](C)C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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