3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; dimethyl-[2-[2-(phenylmethyl)phenoxy]ethyl]azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; dimethyl-[2-[2-(phenylmethyl)phenoxy]ethyl]azanium Openeye Name: 2-(2-benzylphenoxy)ethyl-dimethyl-ammonium; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; dimethyl-[2-[2-(phenylmethyl)phenoxy]ethyl]ammonium IUPAC Name: 2-(2-benzylphenoxy)ethyl-dimethylazanium; 3-carboxy-3,5-dihydroxy-5-oxopentanoate Traditional Name: 2-(2-benzylphenoxy)ethyl-dimethyl-ammonium; 3-carboxy-3,5-dihydroxy-5-keto-valerate Formula: C23H29NO8 MolecularWeight: 447.47826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)