(2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]butanedioate

Systemtic Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]butanedioate Openeye Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]butanedioate CAS Name: (2R)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]butanedioate IUPAC Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]butanedioate Traditional Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]succinate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c1-19(2)8-12-16-10-6-4-3-5-9(10)14(18-12)17-11(15(22)23)7-13(20)21/h3-6,11H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H,16,17,18)/p-1/t11-/m1/s1