[3-(dimethylsulfamoyl)phenyl]methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C15H17N3O4S/c1-18(2)23(20,21)12-6-3-5-11(9-12)10-22-15(19)13-7-4-8-17-14(13)16/h3-9H,10H2,1-2H3,(H2,16,17)/p+1