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

Systemtic Name: 2-[(2S)-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-fluoro-2-pyrazol-1-yl-benzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H33FN5O+ MolecularWeight: 402.528723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C22H32FN5O/c1-25-10-5-20(6-11-25)27-13-12-26(17-21(27)7-14-29)16-18-15-19(23)3-4-22(18)28-9-2-8-24-28/h2-4,8-9,15,20-21,29H,5-7,10-14,16-17H2,1H3/p+1/t21-/m0/s1