2-hydroxyethyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanedioate

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanedioate Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthyl)propanedioate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthalenyl)propanedioate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanedioate Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthyl)malonate Formula: C24H38N2O7 MolecularWeight: 466.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C[N+](C)(C)CCO.COC1=CC2=C(C=C1)C=C(C=C2)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCO.C[N+](C)(C)CCO.COC1=CC2=C(C=C1)C=C(C=C2)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12O5.2C5H14NO/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12(13(15)16)14(17)18;2*1-6(2,3)4-5-7/h2-7,12H,1H3,(H,15,16)(H,17,18);2*7H,4-5H2,1-3H3/q;2*+1/p-2