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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C16H31N4O+ MolecularWeight: 295.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCN(C(C2)CCO)CC(C)(C)C

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCN([C@H](C2)CCO)CC(C)(C)C

InChI

InChI=1S/C16H30N4O/c1-13-9-14(18-17-13)10-19-6-7-20(12-16(2,3)4)15(11-19)5-8-21/h9,15,21H,5-8,10-12H2,1-4H3,(H,17,18)/p+1/t15-/m0/s1