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

Systemtic Name: 2-[(2S)-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[4-[1-(o-tolyl)pyrazol-4-yl]pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[4-[1-(2-methylphenyl)-4-pyrazolyl]-2-pyrimidinyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[4-[1-(o-tolyl)pyrazol-4-yl]pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C=N2)C3=NC(=NC=C3)N4CC[NH+](C(C4)CCO)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C=N2)C3=NC(=NC=C3)N4CC[NH+]([C@H](C4)CCO)C

InChI

InChI=1S/C21H26N6O/c1-16-5-3-4-6-20(16)27-14-17(13-23-27)19-7-9-22-21(24-19)26-11-10-25(2)18(15-26)8-12-28/h3-7,9,13-14,18,28H,8,10-12,15H2,1-2H3/p+1/t18-/m0/s1