2-bromanyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Openeye Name: 2-bromo-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate CAS Name: 2-bromo-6-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitrophenolate Traditional Name: 2-bromo-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C14H18BrN3O4/c15-13-9-12(18(20)21)8-11(14(13)19)10-16-2-1-3-17-4-6-22-7-5-17/h8-10,19H,1-7H2