(2S)-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]pentanedioate

Systemtic Name: (2S)-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]pentanedioate Openeye Name: (2S)-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]pentanedioate CAS Name: (2S)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]ammonio]pentanedioate IUPAC Name: (2S)-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]pentanedioate Traditional Name: (2S)-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]glutarate Formula: C18H21N4O5- MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)[NH2+]C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H22N4O5/c23-16(24)6-5-14(18(25)26)20-17-12-3-1-2-4-13(12)19-15(21-17)11-22-7-9-27-10-8-22/h1-4,14H,5-11H2,(H,23,24)(H,25,26)(H,19,20,21)/p-1/t14-/m0/s1