4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H19ClFN2O2+ MolecularWeight: 385.839163

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=C(C=CC=C3Cl)F)C=C(C=C2O)C4=CC=CC=N4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=C(C=CC=C3Cl)F)C=C(C=C2O)C4=CC=CC=N4

InChI

InChI=1S/C21H18ClFN2O2/c22-17-4-3-5-18(23)16(17)13-25-8-9-27-21-15(12-25)10-14(11-20(21)26)19-6-1-2-7-24-19/h1-7,10-11,26H,8-9,12-13H2/p+1