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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-neopentyl-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C17H33N4O+ MolecularWeight: 309.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CCCN2C=CC=N2

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CCCN2C=CC=N2

InChI

InChI=1S/C17H32N4O/c1-17(2,3)15-20-12-11-19(14-16(20)6-13-22)8-5-10-21-9-4-7-18-21/h4,7,9,16,22H,5-6,8,10-15H2,1-3H3/p+1/t16-/m0/s1