(2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methyl-morpholin-4-ium

Systemtic Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methyl-morpholin-4-ium Openeye Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methyl-morpholin-4-ium CAS Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-methylmorpholin-4-ium IUPAC Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-methylmorpholin-4-ium Traditional Name: (2S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-methyl-morpholin-4-ium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-17-14-24(12-13-27-17)15-19-16-25(20-6-4-3-5-7-20)23-22(19)18-8-10-21(26-2)11-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1/t17-/m0/s1