2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C16H31N4O+ MolecularWeight: 295.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC[NH+](C(C2)CCO)CC(C)C)C

Isomeric SMILES

CC1=NN(C=C1CN2CC[NH+]([C@H](C2)CCO)CC(C)C)C

InChI

InChI=1S/C16H30N4O/c1-13(2)9-20-7-6-19(12-16(20)5-8-21)11-15-10-18(4)17-14(15)3/h10,13,16,21H,5-9,11-12H2,1-4H3/p+1/t16-/m0/s1