3-(2-methyl-2-phenoxy-propanoyl)oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-methyl-2-phenoxy-propanoyl)oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-methyl-2-phenoxy-propanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-(2-methyl-1-oxo-2-phenoxypropoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-methyl-2-phenoxypropanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-methyl-2-phenoxy-propanoyl)oxy-4-(trimethylammonio)butyrate Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)OC1=CC=CC=C1

InChI

InChI=1S/C17H25NO5/c1-17(2,23-13-9-7-6-8-10-13)16(21)22-14(11-15(19)20)12-18(3,4)5/h6-10,14H,11-12H2,1-5H3