5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 5-ethyl-2-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 5-ethyl-2-[(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=NN(C(=C1[N+](=O)[O-])C(=O)N)C[N+]2(CCCC2)C

Isomeric SMILES

CCC1=NN(C(=C1[N+](=O)[O-])C(=O)N)C[N+]2(CCCC2)C

InChI

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