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

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester perchlorate Formula: C25H29ClN2O8S MolecularWeight: 553.02436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H29N2O4S.ClHO4/c1-3-22-16-21(20-8-6-5-7-9-20)17-23(4-2)27(22)18-25(28)31-15-14-19-10-12-24(13-11-19)32(26,29)30;2-1(3,4)5/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H2,26,29,30);(H,2,3,4,5)/q+1;/p-1