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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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