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

Systemtic Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]pentanedioate Openeye Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]pentanedioate CAS Name: (2R)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]pentanedioate IUPAC Name: (2R)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]pentanedioate Traditional Name: (2R)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]glutarate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-20(2)9-13-17-11-6-4-3-5-10(11)15(19-13)18-12(16(23)24)7-8-14(21)22/h3-6,12H,7-9H2,1-2H3,(H,21,22)(H,23,24)(H,17,18,19)/p-1/t12-/m1/s1