2-[(2S)-1-cyclopentyl-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C23H33N4O+ MolecularWeight: 381.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C23H32N4O/c1-18-6-2-5-9-22(18)23-24-14-19(15-25-23)16-26-11-12-27(20-7-3-4-8-20)21(17-26)10-13-28/h2,5-6,9,14-15,20-21,28H,3-4,7-8,10-13,16-17H2,1H3/p+1/t21-/m0/s1