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

Systemtic Name: 4-bromanyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H19BrN7O4+ MolecularWeight: 465.28126

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN7O4/c18-13-14(21-22-15(13)25(27)28)16(26)20-17-19-11-3-1-2-4-12(11)24(17)6-5-23-7-9-29-10-8-23/h1-4H,5-10H2,(H,21,22)(H,19,20,26)/p+1