2-[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H21N5O4/c26-19-15(4-3-7-18(19)25(27)28)14-21-20-22-16-5-1-2-6-17(16)24(20)9-8-23-10-12-29-13-11-23/h1-7,14,26H,8-13H2