2-oxidanylbutanedioate; triethyl-(phenylmethyl)azanium

Systemtic Name: 2-oxidanylbutanedioate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 2-hydroxybutanedioate CAS Name: 2-hydroxybutanedioate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 2-hydroxybutanedioate Traditional Name: benzyl(triethyl)ammonium; 2-hydroxysuccinate Formula: C30H48N2O5 MolecularWeight: 516.71252

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.C(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.C(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/2C13H22N.C4H6O5/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;5-2(4(8)9)1-3(6)7/h2*7-11H,4-6,12H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)/q2*+1;/p-2