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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-morpholin-4-yl-3-nitro-benzoate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 4-morpholino-3-nitro-benzoate chloride CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-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-methylthiazol-3-ium-5-yl)ethyl ester chloride Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H19N3O5S.ClH/c1-12-16(26-11-18-12)4-7-25-17(21)13-2-3-14(15(10-13)20(22)23)19-5-8-24-9-6-19;/h2-3,10-11H,4-9H2,1H3;1H