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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O2+ MolecularWeight: 421.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C25H32N4O2/c1-2-31-25-7-4-3-6-22(25)19-28-16-15-27(20-24(28)12-17-30)18-21-8-10-23(11-9-21)29-14-5-13-26-29/h3-11,13-14,24,30H,2,12,15-20H2,1H3/p+1/t24-/m0/s1