(3S)-1-[2-[[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[2-[[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[2-[[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[2-[[5-methyl-4-(2-methyl-3-pyrazolyl)-2-pyrimidinyl]amino]ethyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[2-[[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[2-[[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-ium-3-ol Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=NN2C)NCC[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=NN2C)NCC[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C16H24N6O/c1-12-10-18-16(20-15(12)14-5-6-19-21(14)2)17-7-9-22-8-3-4-13(23)11-22/h5-6,10,13,23H,3-4,7-9,11H2,1-2H3,(H,17,18,20)/p+1/t13-/m0/s1