(2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-phenyl-propionate Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N[C@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-24(2)13-18-21-16-11-7-6-10-15(16)19(23-18)22-17(20(25)26)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,25,26)(H,21,22,23)/t17-/m1/s1