4-(4-fluorophenyl)-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]phthalazin-1-one

Systemtic Name: 4-(4-fluorophenyl)-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 4-(4-fluorophenyl)-2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]phthalazin-1-one CAS Name: 4-(4-fluorophenyl)-2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-1-phthalazinone IUPAC Name: 4-(4-fluorophenyl)-2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]phthalazin-1-one Traditional Name: 4-(4-fluorophenyl)-2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]phthalazin-1-one Formula: C21H23FN3O3+ MolecularWeight: 384.424023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1COCC[NH+]1C[C@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H22FN3O3/c22-16-7-5-15(6-8-16)20-18-3-1-2-4-19(18)21(27)25(23-20)14-17(26)13-24-9-11-28-12-10-24/h1-8,17,26H,9-14H2/p+1/t17-/m1/s1