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

Systemtic Name: 2-[[5-(furan-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(2-furanyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(furan-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H20N5O4+ MolecularWeight: 370.3825

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H19N5O4/c1-21(2)9-8-19-18(24)16-12-15(17-7-4-10-27-17)20-22(16)13-5-3-6-14(11-13)23(25)26/h3-7,10-12H,8-9H2,1-2H3,(H,19,24)/p+1