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

Systemtic Name: 4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: 4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]butanoate IUPAC Name: 4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]butyrate Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCCCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCCCC(=O)[O-]

InChI

InChI=1S/C15H20N4O2/c1-19(2)10-13-17-12-7-4-3-6-11(12)15(18-13)16-9-5-8-14(20)21/h3-4,6-7H,5,8-10H2,1-2H3,(H,20,21)(H,16,17,18)