[3-carboxy-5-(diethylsulfamoyl)-5-methyl-cyclohexa-1,3-dien-1-yl]sulfonyl-diethyl-(5H-1,2-oxazol-2-yl)azanium

Systemtic Name: [3-carboxy-5-(diethylsulfamoyl)-5-methyl-cyclohexa-1,3-dien-1-yl]sulfonyl-diethyl-(5H-1,2-oxazol-2-yl)azanium Openeye Name: [3-carboxy-5-(diethylsulfamoyl)-5-methyl-cyclohexa-1,3-dien-1-yl]sulfonyl-diethyl-(5H-isoxazol-2-yl)ammonium CAS Name: [3-carboxy-5-(diethylsulfamoyl)-5-methyl-1-cyclohexa-1,3-dienyl]sulfonyl-diethyl-(5H-isoxazol-2-yl)ammonium IUPAC Name: [3-carboxy-5-(diethylsulfamoyl)-5-methylcyclohexa-1,3-dien-1-yl]sulfonyl-diethyl-(5H-1,2-oxazol-2-yl)azanium Traditional Name: [3-carboxy-5-(diethylsulfamoyl)-5-methyl-cyclohexa-1,3-dien-1-yl]sulfonyl-diethyl-(3-isoxazolin-2-yl)ammonium Formula: C19H32N3O7S2+ MolecularWeight: 478.60328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1(CC(=CC(=C1)C(=O)O)S(=O)(=O)[N+](CC)(CC)N2C=CCO2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1(CC(=CC(=C1)C(=O)O)S(=O)(=O)[N+](CC)(CC)N2C=CCO2)C

InChI

InChI=1S/C19H31N3O7S2/c1-6-20(7-2)31(27,28)19(5)14-16(18(23)24)13-17(15-19)30(25,26)22(8-3,9-4)21-11-10-12-29-21/h10-11,13-14H,6-9,12,15H2,1-5H3/p+1