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

Systemtic Name: 4-[[2-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[3-(dimethylammonio)propoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-[3-(dimethylazaniumyl)propoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[3-(dimethylammonio)propoxy]benzyl]amino]-4-keto-butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC=C1CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC=C1CNC(=O)CCC(=O)[O-]

InChI

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