dimethyl-[2-[[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[1-(4-nitrophenyl)-5-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[1-(4-nitrophenyl)-5-phenylpyrazole-4-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-23(2)13-12-21-20(26)18-14-22-24(19(18)15-6-4-3-5-7-15)16-8-10-17(11-9-16)25(27)28/h3-11,14H,12-13H2,1-2H3,(H,21,26)/p+1