4-[2-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23ClN2O4/c1-19(2)9-10-23-14-4-3-13(17)11-12(14)7-8-18-15(20)5-6-16(21)22/h3-4,11H,5-10H2,1-2H3,(H,18,20)(H,21,22)