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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N5O4/c1-24(2)12-11-22-21(27)20-14-19(15-5-4-6-18(13-15)30-3)23-25(20)16-7-9-17(10-8-16)26(28)29/h4-10,13-14H,11-12H2,1-3H3,(H,22,27)/p+1