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

Systemtic Name: 2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[(1-morpholin-4-ium-4-ylcyclohexyl)methyliminomethyl]-4-nitro-phenolate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c22-17-5-4-16(21(23)24)12-15(17)13-19-14-18(6-2-1-3-7-18)20-8-10-25-11-9-20/h4-5,12-13,22H,1-3,6-11,14H2