3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amino]propanoate

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amino]propanoate Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amino]propanoate CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-[3-(4-morpholin-4-iumyl)propyl]amino]propanoate IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amino]propanoate Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amino]propionate Formula: C20H27ClN4O3 MolecularWeight: 406.90638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC[NH+]3CCOCC3)CCC(=O)[O-]

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC[NH+]3CCOCC3)CCC(=O)[O-]

InChI

InChI=1S/C20H27ClN4O3/c1-2-18-22-17-14-15(21)4-5-16(17)20(23-18)25(9-6-19(26)27)8-3-7-24-10-12-28-13-11-24/h4-5,14H,2-3,6-13H2,1H3,(H,26,27)