1-[[1-(2-hydroxyethyl)-3-nitro-pyrazol-4-yl]methyl]-4-methyl-piperazin-1-ium-1-carboxamide

Systemtic Name: 1-[[1-(2-hydroxyethyl)-3-nitro-pyrazol-4-yl]methyl]-4-methyl-piperazin-1-ium-1-carboxamide Openeye Name: 1-[[1-(2-hydroxyethyl)-3-nitro-pyrazol-4-yl]methyl]-4-methyl-piperazin-1-ium-1-carboxamide CAS Name: 1-[[1-(2-hydroxyethyl)-3-nitro-4-pyrazolyl]methyl]-4-methyl-1-piperazin-1-iumcarboxamide IUPAC Name: 1-[[1-(2-hydroxyethyl)-3-nitropyrazol-4-yl]methyl]-4-methylpiperazin-1-ium-1-carboxamide Traditional Name: 1-[[1-(2-hydroxyethyl)-3-nitro-pyrazol-4-yl]methyl]-4-methyl-piperazin-1-ium-1-carboxamide Formula: C12H21N6O4+ MolecularWeight: 313.33294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CC2=CN(N=C2[N+](=O)[O-])CCO)C(=O)N

Isomeric SMILES

CN1CC[N+](CC1)(CC2=CN(N=C2[N+](=O)[O-])CCO)C(=O)N

InChI

InChI=1S/C12H20N6O4/c1-15-2-5-18(6-3-15,12(13)20)9-10-8-16(4-7-19)14-11(10)17(21)22/h8,19H,2-7,9H2,1H3,(H-,13,20)/p+1