5-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 5-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 5-ethyl-1-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 5-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C12H20N5O3+ MolecularWeight: 282.3189

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C[N+]2(CCCC2)C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1C[N+]2(CCCC2)C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H19N5O3/c1-3-9-11(16(19)20)10(12(13)18)14-15(9)8-17(2)6-4-5-7-17/h3-8H2,1-2H3,(H-,13,18)/p+1