1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-methyl-N-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Formula: C18H22N7O4+ MolecularWeight: 400.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O4/c1-22-12-15(25(27)28)16(21-22)17(26)20-18-19-13-4-2-3-5-14(13)24(18)7-6-23-8-10-29-11-9-23/h2-5,12H,6-11H2,1H3,(H,19,20,26)/p+1