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

Systemtic Name: 2-[(2S)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[4-(2-pyrimidyloxy)benzyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=C(C=C2)OC3=NC=CC=N3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=C(C=C2)OC3=NC=CC=N3)CCO)CC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c27-13-8-19-16-25(11-12-26(19)17-21-3-1-14-29-21)15-18-4-6-20(7-5-18)28-22-23-9-2-10-24-22/h1-7,9-10,14,19,27H,8,11-13,15-17H2/p+1/t19-/m0/s1