2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate perchlorate

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate Formula: C18H23ClN2O8S MolecularWeight: 462.90182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H23N2O4S.ClHO4/c1-13-10-14(2)20(15(3)11-13)12-18(21)24-9-8-16-4-6-17(7-5-16)25(19,22)23;2-1(3,4)5/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,22,23);(H,2,3,4,5)/q+1;/p-1