2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O/c1-18-5-2-6-19(25-18)15-27-13-12-26(16-20(27)8-14-29)17-21-7-3-11-28(21)22-23-9-4-10-24-22/h2-7,9-11,20,29H,8,12-17H2,1H3/p+1/t20-/m0/s1