dimethyl-[3-[[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl]azanium Openeye Name: dimethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methyleneamino]propyl]ammonium CAS Name: dimethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl]ammonium IUPAC Name: dimethyl-[3-[[1-(4-nitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl]azanium Traditional Name: 3-[[5-keto-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-24(2)14-6-13-22-15-19-20(16-7-4-3-5-8-16)23-25(21(19)27)17-9-11-18(12-10-17)26(28)29/h3-5,7-12,15,19H,6,13-14H2,1-2H3/p+1