2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2-(2-chloranyl-4-sulfamoyl-phenoxy)ethanoate

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2-(2-chloranyl-4-sulfamoyl-phenoxy)ethanoate Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2-(2-chloro-4-sulfamoyl-phenoxy)acetate CAS Name: 2-(2-chloro-4-sulfamoylphenoxy)acetic acid 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2-(2-chloro-4-sulfamoylphenoxy)acetate Traditional Name: 2-(2-chloro-4-sulfamoyl-phenoxy)acetic acid 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl ester Formula: C18H22ClN2O5S+ MolecularWeight: 413.89568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCOC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N)Cl)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCOC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N)Cl)C

InChI

InChI=1S/C18H22ClN2O5S/c1-12-8-13(2)21(14(3)9-12)6-7-25-18(22)11-26-17-5-4-15(10-16(17)19)27(20,23)24/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,23,24)/q+1