3-phenylmethoxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-phenylmethoxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-benzyloxy-4-(trimethylammonio)butanoate CAS Name: 3-phenylmethoxy-4-(trimethylammonio)butanoate IUPAC Name: 3-phenylmethoxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-benzoxy-4-(trimethylammonio)butyrate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OCC1=CC=CC=C1

InChI

InChI=1S/C14H21NO3/c1-15(2,3)10-13(9-14(16)17)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3