2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

InChI

InChI=1S/C17H19N3O4S/c21-16-4-3-14(20(22)23)10-13(16)11-18-12-15(17-2-1-9-25-17)19-5-7-24-8-6-19/h1-4,9-11,15,21H,5-8,12H2/t15-/m0/s1