(2S)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C12H20N5O3+ MolecularWeight: 282.3189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCCCC2C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCCC[C@H]2C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C12H19N5O3/c1-8-11(17(19)20)9(2)16(14-8)7-15-6-4-3-5-10(15)12(13)18/h10H,3-7H2,1-2H3,(H2,13,18)/p+1/t10-/m0/s1