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

Systemtic Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N4O/c1-15(2)23-10-9-22(14-18(23)8-11-24)13-17-12-20-21-19(17)16-6-4-3-5-7-16/h3-7,12,15,18,24H,8-11,13-14H2,1-2H3,(H,20,21)/p+1/t18-/m0/s1