3-(2-butylphenyl)carbonyloxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-butylphenyl)carbonyloxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-butylbenzoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-[(2-butylphenyl)-oxomethoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-butylbenzoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-butylbenzoyl)oxy-4-(trimethylammonio)butyrate Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C18H27NO4/c1-5-6-9-14-10-7-8-11-16(14)18(22)23-15(12-17(20)21)13-19(2,3)4/h7-8,10-11,15H,5-6,9,12-13H2,1-4H3