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

Systemtic Name: 2-[(2S)-1-methyl-4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[4-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-2-yl]ethanol Formula: C15H23N6O+ MolecularWeight: 303.38272

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)C2=NC=CC(=N2)C3=CN(N=C3)C

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)C2=NC=CC(=N2)C3=CN(N=C3)C

InChI

InChI=1S/C15H22N6O/c1-19-6-7-21(11-13(19)4-8-22)15-16-5-3-14(18-15)12-9-17-20(2)10-12/h3,5,9-10,13,22H,4,6-8,11H2,1-2H3/p+1/t13-/m0/s1