2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-[4-(2-pyrimidyloxy)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C25H30N4O2/c1-20-3-5-22(6-4-20)18-29-15-14-28(19-23(29)11-16-30)17-21-7-9-24(10-8-21)31-25-26-12-2-13-27-25/h2-10,12-13,23,30H,11,14-19H2,1H3/p+1/t23-/m0/s1