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

Systemtic Name: 2-[[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(2,4-dimethoxyphenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(2,4-dimethoxyphenyl)-2-phenylpyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-25(2)13-12-23-22(27)20-15-19(24-26(20)16-8-6-5-7-9-16)18-11-10-17(28-3)14-21(18)29-4/h5-11,14-15H,12-13H2,1-4H3,(H,23,27)/p+1