4-chloranyl-2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c18-13-8-12(17(22)14(9-13)21(23)24)10-19-11-15(16-2-1-7-26-16)20-3-5-25-6-4-20/h1-2,7-10,15,22H,3-6,11H2/t15-/m0/s1