2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-morpholin-4-yl-3-nitro-benzoate chloride

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-morpholin-4-yl-3-nitro-benzoate chloride Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 4-morpholino-3-nitro-benzoate chloride CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-morpholin-4-yl-3-nitrobenzoate chloride Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C25H26ClN3O6S MolecularWeight: 532.00844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C25H26N3O6S.ClH/c1-18-24(35-17-27(18)16-23(29)19-5-3-2-4-6-19)9-12-34-25(30)20-7-8-21(22(15-20)28(31)32)26-10-13-33-14-11-26;/h2-8,15,17H,9-14,16H2,1H3;1H/q+1;/p-1