4-(2-morpholin-4-ium-4-ylethylamino)quinazoline-7-carboxylate

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinazoline-7-carboxylate Openeye Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinazoline-7-carboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-7-quinazolinecarboxylate IUPAC Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinazoline-7-carboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinazoline-7-carboxylate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C15H18N4O3/c20-15(21)11-1-2-12-13(9-11)17-10-18-14(12)16-3-4-19-5-7-22-8-6-19/h1-2,9-10H,3-8H2,(H,20,21)(H,16,17,18)