(2S)-2-[(6-methoxyquinazolin-4-yl)azaniumyl]hexanoate

Systemtic Name: (2S)-2-[(6-methoxyquinazolin-4-yl)azaniumyl]hexanoate Openeye Name: (2S)-2-[(6-methoxyquinazolin-4-yl)ammonio]hexanoate CAS Name: (2S)-2-[(6-methoxy-4-quinazolinyl)ammonio]hexanoate IUPAC Name: (2S)-2-[(6-methoxyquinazolin-4-yl)azaniumyl]hexanoate Traditional Name: (2S)-2-[(6-methoxyquinazolin-4-yl)ammonio]hexanoate Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]C1=NC=NC2=C1C=C(C=C2)OC

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1C=C(C=C2)OC

InChI

InChI=1S/C15H19N3O3/c1-3-4-5-13(15(19)20)18-14-11-8-10(21-2)6-7-12(11)16-9-17-14/h6-9,13H,3-5H2,1-2H3,(H,19,20)(H,16,17,18)/t13-/m0/s1