trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[(E)-1-oxo-3-phenylprop-2-enoxy]butyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[(E)-3-phenylprop-2-enoyl]oxybutyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-[(E)-3-phenylacryloyl]oxy-butyl]-trimethyl-ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-17(2,3)12-14(11-15(18)19)21-16(20)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3/p+1/b10-9+