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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

InChI

InChI=1S/C15H20N4O2/c1-4-11(15(20)21)17-14-10-7-5-6-8-12(10)16-13(18-14)9-19(2)3/h5-8,11H,4,9H2,1-3H3,(H,20,21)(H,16,17,18)/t11-/m0/s1