[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(methoxycarbonylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylammonium IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(carbomethoxyamino)-2-keto-ethyl]-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-ammonium Formula: C21H22ClN4O3+ MolecularWeight: 413.87738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)NC(=O)OC

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)NC(=O)OC

InChI

InChI=1S/C21H21ClN4O3/c1-25(14-19(27)23-21(28)29-2)12-16-13-26(18-6-4-3-5-7-18)24-20(16)15-8-10-17(22)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,23,27,28)/p+1