5-chloranyl-2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]benzoate

Systemtic Name: 5-chloranyl-2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]benzoate Openeye Name: 5-chloro-2-[4-[2-(dimethylammonio)ethoxy]phenyl]benzoate CAS Name: 5-chloro-2-[4-[2-(dimethylammonio)ethoxy]phenyl]benzoate IUPAC Name: 5-chloro-2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]benzoate Traditional Name: 5-chloro-2-[4-[2-(dimethylammonio)ethoxy]phenyl]benzoate Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C17H18ClNO3/c1-19(2)9-10-22-14-6-3-12(4-7-14)15-8-5-13(18)11-16(15)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,20,21)