3-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: 3-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylpropanoate Openeye Name: 3-[2-[(dimethylammonio)methyl]quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]thio]propanoate IUPAC Name: 3-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-17(2)9-12-15-11-6-4-3-5-10(11)14(16-12)20-8-7-13(18)19/h3-6H,7-9H2,1-2H3,(H,18,19)