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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CCCN2C=CC=N2

Isomeric SMILES

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

InChI

InChI=1S/C17H32N4O/c1-16(2)5-11-20-13-12-19(15-17(20)6-14-22)8-4-10-21-9-3-7-18-21/h3,7,9,16-17,22H,4-6,8,10-15H2,1-2H3/p+1/t17-/m0/s1