4-chloranyl-2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-6-nitro-phenolate Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl)[NH+]2CCOCC2

InChI

InChI=1S/C15H20ClN3O4/c1-15(2,18-3-5-23-6-4-18)10-17-9-11-7-12(16)8-13(14(11)20)19(21)22/h7-9,20H,3-6,10H2,1-2H3