trimethyl-(phenylmethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: trimethyl-(phenylmethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: benzyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 2,3,4-trihydroxy-4-oxobutanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: benzyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C14H21NO6 MolecularWeight: 299.31964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N.C4H6O6/c1-11(2,3)9-10-7-5-4-6-8-10;5-1(3(7)8)2(6)4(9)10/h4-8H,9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1