[4-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[2-(4-morpholin-4-iumyl)ethylthio]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(2-morpholin-4-ium-4-ylethylthio)-3-nitro-phenyl]-morpholino-methanone Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5S/c21-17(19-5-10-25-11-6-19)14-1-2-16(15(13-14)20(22)23)26-12-7-18-3-8-24-9-4-18/h1-2,13H,3-12H2/p+1