N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]acetamide Formula: C22H24FN4O3+ MolecularWeight: 411.449363

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3/c23-17-7-5-16(6-8-17)13-24-21(28)15-27-20(14-26-9-11-30-12-10-26)25-19-4-2-1-3-18(19)22(27)29/h1-8H,9-15H2,(H,24,28)/p+1