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

Systemtic Name: 4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-7-thiophen-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-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-fluoro-4-methoxy-benzyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H21FNO3S+ MolecularWeight: 386.459743

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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=CS4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4)F

InChI

InChI=1S/C21H20FNO3S/c1-25-17-5-4-14(18(22)11-17)12-23-6-7-26-21-16(13-23)9-15(10-19(21)24)20-3-2-8-27-20/h2-5,8-11,24H,6-7,12-13H2,1H3/p+1