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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[3-(3,5-dimethylpyrazol-1-yl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+](C(C3)CCO)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4)C

InChI

InChI=1S/C24H36N4O/c1-19-15-20(2)28(25-19)23-10-6-7-21(16-23)17-26-12-13-27(24(18-26)11-14-29)22-8-4-3-5-9-22/h6-7,10,15-16,22,24,29H,3-5,8-9,11-14,17-18H2,1-2H3/p+1/t24-/m0/s1