N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H20N7O4+ MolecularWeight: 386.3852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC(=O)C4=C(C=NN4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC(=O)C4=C(C=NN4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4/c25-16(15-14(24(26)27)11-18-21-15)20-17-19-12-3-1-2-4-13(12)23(17)6-5-22-7-9-28-10-8-22/h1-4,11H,5-10H2,(H2,18,19,20,21,25)/p+1