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

Systemtic Name: 4-[[5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-[2-(dimethylammonio)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C15H21ClN2O4 MolecularWeight: 328.79124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O4/c1-18(2)7-8-22-13-4-3-12(16)9-11(13)10-17-14(19)5-6-15(20)21/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)