(2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-methyl-butyrate Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2/c1-10(2)14(16(21)22)19-15-11-7-5-6-8-12(11)17-13(18-15)9-20(3)4/h5-8,10,14H,9H2,1-4H3,(H,21,22)(H,17,18,19)/t14-/m0/s1