2-[(2S)-1-(phenylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(phenylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(phenylmethyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c28-15-9-20-17-25(13-14-26(20)16-19-6-2-1-3-7-19)18-21-8-4-12-27(21)22-23-10-5-11-24-22/h1-8,10-12,20,28H,9,13-18H2/p+1/t20-/m0/s1