2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CN(N=C2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=CN(N=C2C3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4O/c1-22(2,3)17-26-12-11-25(16-20(26)10-13-27)15-19-14-24(4)23-21(19)18-8-6-5-7-9-18/h5-9,14,20,27H,10-13,15-17H2,1-4H3/p+1/t20-/m0/s1