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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[4-(2-pyrimidyloxy)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C26H32N4O3/c1-2-32-25-7-4-3-6-22(25)19-30-16-15-29(20-23(30)12-17-31)18-21-8-10-24(11-9-21)33-26-27-13-5-14-28-26/h3-11,13-14,23,31H,2,12,15-20H2,1H3/p+1/t23-/m0/s1