N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3/c24-17-7-5-16(6-8-17)20(28-11-13-31-14-12-28)15-25-22(29)10-9-21-26-19-4-2-1-3-18(19)23(30)27-21/h1-8,20H,9-15H2,(H,25,29)(H,26,27,30)/p+1/t20-/m1/s1