2-[(2S)-1-(phenylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(phenylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(phenylmethyl)-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(3-pyrazol-1-ylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H29N4O+ MolecularWeight: 377.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC(=CC=C2)N3C=CC=N3)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC(=CC=C2)N3C=CC=N3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c28-15-10-23-19-25(13-14-26(23)18-20-6-2-1-3-7-20)17-21-8-4-9-22(16-21)27-12-5-11-24-27/h1-9,11-12,16,23,28H,10,13-15,17-19H2/p+1/t23-/m0/s1