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

Systemtic Name: 2,2-dimethoxyethyl-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 2,2-dimethoxyethyl-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: 2,2-dimethoxyethyl-[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 2,2-dimethoxyethyl-[[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: 2,2-dimethoxyethyl-[[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C[NH2+]CC(OC)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C[NH2+]CC(OC)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2/c1-16-10-11-20(17(2)12-16)22-18(13-23-14-21(26-3)27-4)15-25(24-22)19-8-6-5-7-9-19/h5-12,15,21,23H,13-14H2,1-4H3/p+1