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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C18H35N4O+ MolecularWeight: 323.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(C(C2)CCO)CC(C)(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC(C)(C)C

InChI

InChI=1S/C18H34N4O/c1-6-22-12-16(15(2)19-22)11-20-8-9-21(14-18(3,4)5)17(13-20)7-10-23/h12,17,23H,6-11,13-14H2,1-5H3/p+1/t17-/m0/s1