2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)-4-pyrazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H32FN4O+ MolecularWeight: 387.514083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CN(N=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN(N=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H31FN4O/c23-19-5-4-8-21(13-19)27-16-18(14-24-27)15-25-10-11-26(22(17-25)9-12-28)20-6-2-1-3-7-20/h4-5,8,13-14,16,20,22,28H,1-3,6-7,9-12,15,17H2/p+1/t22-/m0/s1