3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 3-carboxy-3,5-dihydroxy-5-oxopentanoate Traditional Name: benzyl(trimethyl)ammonium; 3-carboxy-3,5-dihydroxy-5-keto-valerate Formula: C16H23NO7 MolecularWeight: 341.35632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N.C6H8O7/c1-11(2,3)9-10-7-5-4-6-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8H,9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-1