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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C16H29N4O+ MolecularWeight: 293.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CC1=CC(=NN1)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C16H28N4O/c1-13(2)4-6-20-8-7-19(12-16(20)5-9-21)11-15-10-14(3)17-18-15/h4,10,16,21H,5-9,11-12H2,1-3H3,(H,17,18)/p+1/t16-/m0/s1