[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethoxyethyl)azanium

Systemtic Name: [3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethoxyethyl)azanium Openeye Name: [3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethoxyethyl)ammonium CAS Name: [3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-(2,2-dimethoxyethyl)ammonium IUPAC Name: [3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-(2,2-dimethoxyethyl)azanium Traditional Name: [3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethoxyethyl)ammonium Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

COC(C[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)Cl)C3=CC=CC=C3)OC

Isomeric SMILES

COC(C[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)Cl)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H22ClN3O2/c1-25-19(26-2)13-22-12-16-14-24(18-9-4-3-5-10-18)23-20(16)15-7-6-8-17(21)11-15/h3-11,14,19,22H,12-13H2,1-2H3/p+1