2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C18H35N4O+ MolecularWeight: 323.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CC[NH+](C(C2)CCO)CC(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CC[NH+]([C@H](C2)CCO)CC(C)C)C

InChI

InChI=1S/C18H34N4O/c1-6-22-16(5)18(15(4)19-22)13-20-8-9-21(11-14(2)3)17(12-20)7-10-23/h14,17,23H,6-13H2,1-5H3/p+1/t17-/m0/s1