4-[(6R)-2-fluoranyl-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium

Systemtic Name: 4-[(6R)-2-fluoranyl-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Openeye Name: 4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium CAS Name: 4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium IUPAC Name: 4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium Traditional Name: 4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Formula: C20H23FNO2S+ MolecularWeight: 360.465523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2C3=C(C=CC(=C3)OC)SC4=C(O2)C=CC(=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@H]2C3=C(C=CC(=C3)OC)SC4=C(O2)C=CC(=C4)F

InChI

InChI=1S/C20H22FNO2S/c1-22-9-7-13(8-10-22)20-16-12-15(23-2)4-6-18(16)25-19-11-14(21)3-5-17(19)24-20/h3-6,11-13,20H,7-10H2,1-2H3/p+1/t20-/m1/s1