2-phenylethanoate; tetramethylazanium

Systemtic Name: 2-phenylethanoate; tetramethylazanium Openeye Name: 2-phenylacetate; tetramethylammonium CAS Name: 2-phenylacetate; tetramethylammonium IUPAC Name: 2-phenylacetate; tetramethylazanium Traditional Name: 2-phenylacetate; tetramethylammonium Formula: C36H57N3O6 MolecularWeight: 627.85428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H8O2.3C4H12N/c3*9-8(10)6-7-4-2-1-3-5-7;3*1-5(2,3)4/h3*1-5H,6H2,(H,9,10);3*1-4H3/q;;;3*+1/p-3