sodium trimethyl-[3-(4-sulfophenyl)carbonyloxypropyl]azanium

Systemtic Name: sodium trimethyl-[3-(4-sulfophenyl)carbonyloxypropyl]azanium Openeye Name: sodium trimethyl-[3-(4-sulfobenzoyl)oxypropyl]ammonium CAS Name: sodium trimethyl-[3-[oxo-(4-sulfophenyl)methoxy]propyl]ammonium IUPAC Name: sodium trimethyl-[3-(4-sulfobenzoyl)oxypropyl]azanium Traditional Name: sodium trimethyl-[3-(4-sulfobenzoyl)oxypropyl]ammonium Formula: C13H20NNaO5S+2 MolecularWeight: 325.35637

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)O.[Na+]

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C13H19NO5S.Na/c1-14(2,3)9-4-10-19-13(15)11-5-7-12(8-6-11)20(16,17)18;/h5-8H,4,9-10H2,1-3H3;/q;+1/p+1