2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid 2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl ester IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl ester Formula: C19H20ClF3N3O5S+ MolecularWeight: 494.89241

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3O5S/c20-16-11-14(19(21,22)23)12-25-17(16)24-5-8-31-18(27)13-1-3-15(4-2-13)32(28,29)26-6-9-30-10-7-26/h1-4,11-12H,5-10H2,(H,24,25)/p+1