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

Systemtic Name: 4-[[3-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[3-(dimethylammonio)propoxy]benzyl]amino]-4-keto-butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-18(2)9-4-10-22-14-6-3-5-13(11-14)12-17-15(19)7-8-16(20)21/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,17,19)(H,20,21)