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

Systemtic Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+](C(C3)CCO)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)CN3CC[NH+]([C@H](C3)CCO)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H34N4O/c1-21-17-22(2)30(27-21)25-10-6-9-24(18-25)19-28-14-15-29(26(20-28)12-16-31)13-11-23-7-4-3-5-8-23/h3-10,17-18,26,31H,11-16,19-20H2,1-2H3/p+1/t26-/m0/s1