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

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O4S/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/h4-9H,10-11H2,1-3H3,(H2,18,21,22)/q+1