2-(4-methoxyphenyl)ethyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-20-8-12-22(13-9-20)26-23(19-29(28-26)24-6-4-3-5-7-24)18-27-17-16-21-10-14-25(30-2)15-11-21/h3-15,19,27H,16-18H2,1-2H3/p+1