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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 4-morpholin-4-yl-3-nitro-benzoate chloride Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 4-morpholino-3-nitro-benzoate chloride CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester chloride IUPAC Name: 2-(3-benzyl-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-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C24H26ClN3O5S MolecularWeight: 503.99834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H26N3O5S.ClH/c1-18-23(33-17-26(18)16-19-5-3-2-4-6-19)9-12-32-24(28)20-7-8-21(22(15-20)27(29)30)25-10-13-31-14-11-25;/h2-8,15,17H,9-14,16H2,1H3;1H/q+1;/p-1