2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-4-nitro-phenolate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[NH+]3CCOCC3

InChI

InChI=1S/C20H23N3O5/c1-27-18-5-2-15(3-6-18)19(22-8-10-28-11-9-22)14-21-13-16-12-17(23(25)26)4-7-20(16)24/h2-7,12-13,19,24H,8-11,14H2,1H3/t19-/m0/s1