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

Systemtic Name: 4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2-fluoro-4-methoxy-phenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-fluoro-4-methoxy-benzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C22H22FN2O3+ MolecularWeight: 381.420083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)F

InChI

InChI=1S/C22H21FN2O3/c1-27-18-6-5-15(19(23)12-18)13-25-8-9-28-22-17(14-25)10-16(11-21(22)26)20-4-2-3-7-24-20/h2-7,10-12,26H,8-9,13-14H2,1H3/p+1