benzoic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium

Systemtic Name: benzoic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium Openeye Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium CAS Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium IUPAC Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium Traditional Name: benzoic acid; [(2R)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium Formula: C17H26NO6+ MolecularWeight: 340.39144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H19NO4.C7H6O2/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;8-7(9)6-4-2-1-3-5-6/h8H,5-7H2,1-4H3;1-5H,(H,8,9)/p+1/t8-;/m1./s1