2-[(2R)-1-(phenylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2R)-1-(phenylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2R)-1-benzyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2R)-1-(phenylmethyl)-4-[(1-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2R)-1-benzyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2R)-1-benzyl-4-[(1-phenylpyrazol-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=CN(N=C2)C3=CC=CC=C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c28-14-11-23-19-25(12-13-26(23)17-20-7-3-1-4-8-20)16-21-15-24-27(18-21)22-9-5-2-6-10-22/h1-10,15,18,23,28H,11-14,16-17,19H2/p+1/t23-/m1/s1