3,4-dimethyl-5-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[2-(2-pyridin-1-iumylamino)ethylsulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]benzoate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCNC2=CC=CC=[NH+]2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCNC2=CC=CC=[NH+]2)C

InChI

InChI=1S/C16H19N3O4S/c1-11-9-13(16(20)21)10-14(12(11)2)24(22,23)19-8-7-18-15-5-3-4-6-17-15/h3-6,9-10,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)