(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]hexanoate

Systemtic Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]hexanoate Openeye Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]hexanoate CAS Name: (2S)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]hexanoate IUPAC Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]hexanoate Traditional Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]hexanoate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C16H21N3O4/c1-4-5-6-11(16(20)21)19-15-10-7-13(22-2)14(23-3)8-12(10)17-9-18-15/h7-9,11H,4-6H2,1-3H3,(H,20,21)(H,17,18,19)/t11-/m0/s1