[3,5-bis(ethoxycarbonyl)-4-sulfo-phenyl]-trimethyl-azanium

Systemtic Name: [3,5-bis(ethoxycarbonyl)-4-sulfo-phenyl]-trimethyl-azanium Openeye Name: [3,5-bis(ethoxycarbonyl)-4-sulfo-phenyl]-trimethyl-ammonium CAS Name: [3,5-bis(ethoxycarbonyl)-4-sulfophenyl]-trimethylammonium IUPAC Name: [3,5-bis(ethoxycarbonyl)-4-sulfophenyl]-trimethylazanium Traditional Name: (3,5-dicarbethoxy-4-sulfo-phenyl)-trimethyl-ammonium Formula: C15H22NO7S+ MolecularWeight: 360.40268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1S(=O)(=O)O)C(=O)OCC)[N+](C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1S(=O)(=O)O)C(=O)OCC)[N+](C)(C)C

InChI

InChI=1S/C15H21NO7S/c1-6-22-14(17)11-8-10(16(3,4)5)9-12(15(18)23-7-2)13(11)24(19,20)21/h8-9H,6-7H2,1-5H3/p+1