2-[(2R)-1-(cyclohexylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-4-[4-(2-pyrimidyloxy)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@H]2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C24H34N4O2/c29-16-11-22-19-27(14-15-28(22)18-20-5-2-1-3-6-20)17-21-7-9-23(10-8-21)30-24-25-12-4-13-26-24/h4,7-10,12-13,20,22,29H,1-3,5-6,11,14-19H2/p+1/t22-/m1/s1