4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium

Systemtic Name: 4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Openeye Name: 4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium CAS Name: 4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium IUPAC Name: 4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium Traditional Name: 4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methyl-piperidin-1-ium Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2C3=C(C=CC(=C3)OC)SC4=CC=CC=C4O2

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@H]2C3=C(C=CC(=C3)OC)SC4=CC=CC=C4O2

InChI

InChI=1S/C20H23NO2S/c1-21-11-9-14(10-12-21)20-16-13-15(22-2)7-8-18(16)24-19-6-4-3-5-17(19)23-20/h3-8,13-14,20H,9-12H2,1-2H3/p+1/t20-/m1/s1