4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: 4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]butanoate Openeye Name: 4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]amino]butanoate IUPAC Name: 4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]butyrate Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)NCCCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)NCCCC(=O)[O-]

InChI

InChI=1S/C16H22N4O2/c1-20(2)11-9-14-18-13-7-4-3-6-12(13)16(19-14)17-10-5-8-15(21)22/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)(H,17,18,19)