2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+](C(C3)CCO)C(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+]([C@H](C3)CCO)C(C)C)C

InChI

InChI=1S/C21H32N4O/c1-16(2)24-10-9-23(15-21(24)8-11-26)14-19-6-5-7-20(13-19)25-18(4)12-17(3)22-25/h5-7,12-13,16,21,26H,8-11,14-15H2,1-4H3/p+1/t21-/m0/s1