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

Systemtic Name: 2-[(2S)-1-methyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CN2C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O/c1-19-9-10-20(12-14(19)5-11-22)13-15-4-2-8-21(15)16-17-6-3-7-18-16/h2-4,6-8,14,22H,5,9-13H2,1H3/p+1/t14-/m0/s1