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

Systemtic Name: 4-chloranyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate Openeye Name: 4-chloro-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate CAS Name: 4-chloro-2-[3-(4-morpholin-4-iumyl)propyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitrophenolate Traditional Name: 4-chloro-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O4/c15-12-8-11(14(19)13(9-12)18(20)21)10-16-2-1-3-17-4-6-22-7-5-17/h8-10,19H,1-7H2