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

Systemtic Name: (2S)-4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Openeye Name: (2S)-4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium IUPAC Name: (2S)-4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium Traditional Name: (2S)-4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=C(NN=C3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=C(NN=C3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H28N4O2/c1-26-11-12-27(16-21(26)17-7-5-4-6-8-17)15-18-14-24-25-23(18)20-10-9-19(28-2)13-22(20)29-3/h4-10,13-14,21H,11-12,15-16H2,1-3H3,(H,24,25)/p+1/t21-/m1/s1