(2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: (2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: (2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: (2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: (2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: (2S)-4-methyl-2-phenyl-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC3=C(NN=C3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CC3=C(NN=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C24H30N4O3/c1-27-10-11-28(20(16-27)17-8-6-5-7-9-17)15-19-14-25-26-23(19)18-12-21(29-2)24(31-4)22(13-18)30-3/h5-9,12-14,20H,10-11,15-16H2,1-4H3,(H,25,26)/p+1/t20-/m1/s1