trimethyl-[3-(2-oxidanyl-5-sulfo-phenoxy)propyl]azanium

Systemtic Name: trimethyl-[3-(2-oxidanyl-5-sulfo-phenoxy)propyl]azanium Openeye Name: 3-(2-hydroxy-5-sulfo-phenoxy)propyl-trimethyl-ammonium CAS Name: 3-(2-hydroxy-5-sulfophenoxy)propyl-trimethylammonium IUPAC Name: 3-(2-hydroxy-5-sulfophenoxy)propyl-trimethylazanium Traditional Name: 3-(2-hydroxy-5-sulfo-phenoxy)propyl-trimethyl-ammonium Formula: C12H20NO5S+ MolecularWeight: 290.3559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(C=CC(=C1)S(=O)(=O)O)O

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(C=CC(=C1)S(=O)(=O)O)O

InChI

InChI=1S/C12H19NO5S/c1-13(2,3)7-4-8-18-12-9-10(19(15,16)17)5-6-11(12)14/h5-6,9H,4,7-8H2,1-3H3,(H-,14,15,16,17)/p+1