2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[4-(2-pyrimidyloxy)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)OC3=NC=CC=N3)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)OC3=NC=CC=N3)C

InChI

InChI=1S/C22H30N4O2/c1-18(2)8-12-26-14-13-25(17-20(26)9-15-27)16-19-4-6-21(7-5-19)28-22-23-10-3-11-24-22/h3-8,10-11,20,27H,9,12-17H2,1-2H3/p+1/t20-/m0/s1