[3,4-bis(oxidanyl)phenyl]methyl-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: protocatechuyl-(4-sulfamoylbenzyl)ammonium Formula: C14H17N2O4S+ MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC(=C(C=C2)O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC(=C(C=C2)O)O)S(=O)(=O)N

InChI

InChI=1S/C14H16N2O4S/c15-21(19,20)12-4-1-10(2-5-12)8-16-9-11-3-6-13(17)14(18)7-11/h1-7,16-18H,8-9H2,(H2,15,19,20)/p+1