2-[(2S)-1-(furan-3-ylmethyl)-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(furan-3-ylmethyl)-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-furylmethyl)-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-furanylmethyl)-4-[5-methyl-4-(2-methyl-3-pyrazolyl)-2-pyrimidinyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(furan-3-ylmethyl)-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-furfuryl)-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=NN2C)N3CC[NH+](C(C3)CCO)CC4=COC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=NN2C)N3CC[NH+]([C@H](C3)CCO)CC4=COC=C4

InChI

InChI=1S/C20H26N6O2/c1-15-11-21-20(23-19(15)18-3-6-22-24(18)2)26-8-7-25(17(13-26)4-9-27)12-16-5-10-28-14-16/h3,5-6,10-11,14,17,27H,4,7-9,12-13H2,1-2H3/p+1/t17-/m0/s1