(2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-3-oxidanyl-propanoate Openeye Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]amino]-3-hydroxypropanoate IUPAC Name: (2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoate Traditional Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-3-hydroxy-propionate Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)NC(CO)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)N[C@H](CO)C(=O)[O-]

InChI

InChI=1S/C15H20N4O3/c1-19(2)8-7-13-16-11-6-4-3-5-10(11)14(18-13)17-12(9-20)15(21)22/h3-6,12,20H,7-9H2,1-2H3,(H,21,22)(H,16,17,18)/t12-/m1/s1