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

Systemtic Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-phenyl-acetate Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N4O2/c1-23(2)12-16-20-15-11-7-6-10-14(15)18(21-16)22-17(19(24)25)13-8-4-3-5-9-13/h3-11,17H,12H2,1-2H3,(H,24,25)(H,20,21,22)/t17-/m0/s1