(2S)-5-methoxy-5-oxidanylidene-2-[(phenylmethyl)amino]pentanoate; tetramethylazanium

Systemtic Name: (2S)-5-methoxy-5-oxidanylidene-2-[(phenylmethyl)amino]pentanoate; tetramethylazanium Openeye Name: (2S)-2-(benzylamino)-5-methoxy-5-oxo-pentanoate; tetramethylammonium CAS Name: (2S)-5-methoxy-5-oxo-2-[(phenylmethyl)amino]pentanoate; tetramethylammonium IUPAC Name: (2S)-2-(benzylamino)-5-methoxy-5-oxopentanoate; tetramethylazanium Traditional Name: (2S)-2-(benzylamino)-5-keto-5-methoxy-valerate; tetramethylammonium Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.COC(=O)CCC(C(=O)[O-])NCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)C.COC(=O)CC[C@@H](C(=O)[O-])NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO4.C4H12N/c1-18-12(15)8-7-11(13(16)17)14-9-10-5-3-2-4-6-10;1-5(2,3)4/h2-6,11,14H,7-9H2,1H3,(H,16,17);1-4H3/q;+1/p-1/t11-;/m0./s1