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

Systemtic Name: 4-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[2-(dimethylammonio)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-[2-(dimethylammonio)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(dimethylammonio)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C15H22N2O4 MolecularWeight: 294.34618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-17(2)9-10-21-13-5-3-12(4-6-13)11-16-14(18)7-8-15(19)20/h3-6H,7-11H2,1-2H3,(H,16,18)(H,19,20)