3-azanyl-2-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-2-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]-1H-pyrazol-5-one Openeye Name: 3-amino-2-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]-1H-pyrazol-5-one CAS Name: 3-amino-2-[(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl]-1H-pyrazol-5-one IUPAC Name: 3-amino-2-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]-1H-pyrazol-5-one Traditional Name: 5-amino-1-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]-3-pyrazolin-3-one Formula: C11H21N4O+ MolecularWeight: 225.31064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)N2C(=CC(=O)N2)N

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C[NH+]1C)C)N2C(=CC(=O)N2)N

InChI

InChI=1S/C11H20N4O/c1-7-6-14(3)8(2)4-9(7)15-10(12)5-11(16)13-15/h5,7-9H,4,6,12H2,1-3H3,(H,13,16)/p+1/t7-,8-,9-/m0/s1