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

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid (4-sulfamoylphenyl)methyl ester perchlorate IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester perchlorate Formula: C17H21ClN2O8S MolecularWeight: 448.87524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H21N2O4S.ClHO4/c1-12-8-13(2)19(14(3)9-12)10-17(20)23-11-15-4-6-16(7-5-15)24(18,21)22;2-1(3,4)5/h4-9H,10-11H2,1-3H3,(H2,18,21,22);(H,2,3,4,5)/q+1;/p-1