4-[(3-fluorophenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(3-fluorophenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(3-fluorophenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(3-fluorophenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(3-fluorophenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(3-fluorobenzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H20FN2O2+ MolecularWeight: 351.394103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC(=CC=C3)F)C=C(C=C2O)C4=CC=CC=N4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC(=CC=C3)F)C=C(C=C2O)C4=CC=CC=N4

InChI

InChI=1S/C21H19FN2O2/c22-18-5-3-4-15(10-18)13-24-8-9-26-21-17(14-24)11-16(12-20(21)25)19-6-1-2-7-23-19/h1-7,10-12,25H,8-9,13-14H2/p+1