2-[(2S)-1-(3-methylbutyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-(1H-pyrazol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C15H29N4O+ MolecularWeight: 281.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CC=NN2

Isomeric SMILES

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

InChI

InChI=1S/C15H28N4O/c1-13(2)4-7-19-9-8-18(12-15(19)5-10-20)11-14-3-6-16-17-14/h3,6,13,15,20H,4-5,7-12H2,1-2H3,(H,16,17)/p+1/t15-/m0/s1