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

Systemtic Name: 2-[(2S)-4-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(3-chlorophenyl)-4-pyrazolyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C19H28ClN4O+ MolecularWeight: 363.90482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CN(N=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O/c1-15(2)23-8-7-22(14-19(23)6-9-25)12-16-11-21-24(13-16)18-5-3-4-17(20)10-18/h3-5,10-11,13,15,19,25H,6-9,12,14H2,1-2H3/p+1/t19-/m0/s1