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

Systemtic Name: 2-[(2S)-1-phenethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O/c29-16-12-23-19-27(14-15-28(23)13-11-20-7-3-1-4-8-20)18-22-17-25-26-24(22)21-9-5-2-6-10-21/h1-10,17,23,29H,11-16,18-19H2,(H,25,26)/p+1/t23-/m0/s1