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

Systemtic Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H31N4O+ MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=C(NN=C2)C3CCCCC3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=C(NN=C2)C3CCCCC3

InChI

InChI=1S/C17H30N4O/c1-20-8-9-21(13-16(20)7-10-22)12-15-11-18-19-17(15)14-5-3-2-4-6-14/h11,14,16,22H,2-10,12-13H2,1H3,(H,18,19)/p+1/t16-/m0/s1