2-[(2S)-1-cyclopentyl-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(5-fluoro-2-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C21H29FN4O/c22-18-6-7-21(26-10-3-9-23-26)17(14-18)15-24-11-12-25(19-4-1-2-5-19)20(16-24)8-13-27/h3,6-7,9-10,14,19-20,27H,1-2,4-5,8,11-13,15-16H2/p+1/t20-/m0/s1