2-[(2S)-1-cyclohexyl-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(1-ethyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CCN1C=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C18H32N4O/c1-2-21-14-16(12-19-21)13-20-9-10-22(18(15-20)8-11-23)17-6-4-3-5-7-17/h12,14,17-18,23H,2-11,13,15H2,1H3/p+1/t18-/m0/s1