2-[[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-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=CN(N=C1C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CN(N=C1C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

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