2-[(2S)-1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c28-14-11-22-18-26(12-13-27(22)16-19-7-3-1-4-8-19)17-21-15-24-25-23(21)20-9-5-2-6-10-20/h1-10,15,22,28H,11-14,16-18H2,(H,24,25)/p+1/t22-/m0/s1