4-chloranyl-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-6-nitro-phenolate Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCOCC3

InChI

InChI=1S/C18H24ClN3O4/c19-15-10-14(17(23)16(11-15)22(24)25)12-20-13-18(4-2-1-3-5-18)21-6-8-26-9-7-21/h10-12,23H,1-9,13H2