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

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester Formula: C25H29N2O4S+ MolecularWeight: 453.57376

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N2O4S/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/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H2,26,29,30)/q+1