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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-neopentyl-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C15H29N4O+ MolecularWeight: 281.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CC=NN2

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=CC=NN2

InChI

InChI=1S/C15H28N4O/c1-15(2,3)12-19-8-7-18(11-14(19)5-9-20)10-13-4-6-16-17-13/h4,6,14,20H,5,7-12H2,1-3H3,(H,16,17)/p+1/t14-/m0/s1