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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)[N+](=O)[O-])C[N+]2(CCN(CC2)CCO)C(=O)N

Isomeric SMILES

CN1C=C(C(=N1)[N+](=O)[O-])C[N+]2(CCN(CC2)CCO)C(=O)N

InChI

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