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

Systemtic Name: 2-[(2S)-1-propan-2-yl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-propan-2-yl-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-propan-2-yl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H28N5O+ MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O/c1-15(2)22-11-10-21(14-17(22)6-12-24)13-16-5-3-9-23(16)18-19-7-4-8-20-18/h3-5,7-9,15,17,24H,6,10-14H2,1-2H3/p+1/t17-/m0/s1