4-[[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-[3-(dimethylammonio)propoxy]benzyl]amino]-4-keto-butyrate Formula: C16H23ClN2O4 MolecularWeight: 342.81782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23ClN2O4/c1-19(2)8-3-9-23-14-5-4-13(17)10-12(14)11-18-15(20)6-7-16(21)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20)(H,21,22)