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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-neopentyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H32N5O+ MolecularWeight: 358.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CC=CN2C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=CC=CN2C3=NC=CC=N3

InChI

InChI=1S/C20H31N5O/c1-20(2,3)16-24-12-11-23(14-17(24)7-13-26)15-18-6-4-10-25(18)19-21-8-5-9-22-19/h4-6,8-10,17,26H,7,11-16H2,1-3H3/p+1/t17-/m0/s1