2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyloxyethyl-trimethyl-azanium chloride

Systemtic Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyloxyethyl-trimethyl-azanium chloride Openeye Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyethyl-trimethylazanium chloride Traditional Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]oxyethyl-trimethyl-ammonium chloride Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H26N3O3.ClH/c1-25(2,3)14-15-28-22(26)20-16-24(18-8-6-5-7-9-18)23-21(20)17-10-12-19(27-4)13-11-17;/h5-13,16H,14-15H2,1-4H3;1H/q+1;/p-1