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

Systemtic Name: 2-[(2S)-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-fluoro-2-pyrazol-1-yl-benzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H37FN5O+ MolecularWeight: 430.581883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C24H36FN5O/c1-19(2)28-11-6-22(7-12-28)29-14-13-27(18-23(29)8-15-31)17-20-16-21(25)4-5-24(20)30-10-3-9-26-30/h3-5,9-10,16,19,22-23,31H,6-8,11-15,17-18H2,1-2H3/p+1/t23-/m0/s1