2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C=NN2)C[NH+]3CCN(C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C=NN2)C[NH+]3CCN([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O/c1-20-8-9-21(2)25(16-20)26-23(17-27-28-26)18-29-13-14-30(24(19-29)11-15-31)12-10-22-6-4-3-5-7-22/h3-9,16-17,24,31H,10-15,18-19H2,1-2H3,(H,27,28)/p+1/t24-/m0/s1