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

Systemtic Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluorobenzyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C19H28FN4O+ MolecularWeight: 347.450223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CCCN2C=CC=N2)CCO)CC3=CC=CC=C3F

Isomeric SMILES

C1CN([C@H](C[NH+]1CCCN2C=CC=N2)CCO)CC3=CC=CC=C3F

InChI

InChI=1S/C19H27FN4O/c20-19-6-2-1-5-17(19)15-23-13-12-22(16-18(23)7-14-25)9-4-11-24-10-3-8-21-24/h1-3,5-6,8,10,18,25H,4,7,9,11-16H2/p+1/t18-/m0/s1