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

Systemtic Name: benzoic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-pentanoyloxy-butyl]azanium Openeye Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-pentanoyloxy-butyl]-trimethyl-ammonium CAS Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-(1-oxopentoxy)butyl]-trimethylammonium IUPAC Name: benzoic acid; [(2R)-4-hydroxy-4-oxo-2-pentanoyloxybutyl]-trimethylazanium Traditional Name: benzoic acid; [(2R)-4-hydroxy-4-keto-2-valeryloxy-butyl]-trimethyl-ammonium Formula: C19H30NO6+ MolecularWeight: 368.4446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4.C7H6O2/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4;8-7(9)6-4-2-1-3-5-6/h10H,5-9H2,1-4H3;1-5H,(H,8,9)/p+1/t10-;/m1./s1