2-(4-sulfamoylphenyl)ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate Formula: C23H25ClN2O8S MolecularWeight: 524.9712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H25N2O4S.ClHO4/c1-17-14-21(20-6-4-3-5-7-20)15-18(2)25(17)16-23(26)29-13-12-19-8-10-22(11-9-19)30(24,27)28;2-1(3,4)5/h3-11,14-15H,12-13,16H2,1-2H3,(H2,24,27,28);(H,2,3,4,5)/q+1;/p-1