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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C23H32N4O2/c1-29-22-8-6-19(7-9-22)23-24-14-18(15-25-23)16-26-11-12-27(20-4-2-3-5-20)21(17-26)10-13-28/h6-9,14-15,20-21,28H,2-5,10-13,16-17H2,1H3/p+1/t21-/m0/s1