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

Systemtic Name: (2S)-2-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylpropanoate Openeye Name: (2S)-2-[2-[(dimethylammonio)methyl]quinazolin-4-yl]sulfanylpropanoate CAS Name: (2S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]thio]propanoate IUPAC Name: (2S)-2-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]thio]propionate Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

InChI

InChI=1S/C14H17N3O2S/c1-9(14(18)19)20-13-10-6-4-5-7-11(10)15-12(16-13)8-17(2)3/h4-7,9H,8H2,1-3H3,(H,18,19)/t9-/m0/s1