2-[3-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2-[3-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2-[3-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-[3-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2-[3-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-[3-(4-chlorobenzoyl)phenoxy]-2-methyl-propionate; 2-hydroxyethyl(trimethyl)ammonium Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO

InChI

InChI=1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-5-3-4-12(10-14)15(19)11-6-8-13(18)9-7-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1