(10R)-10-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ol

Systemtic Name: (10R)-10-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ol Openeye Name: (10R)-10-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ol CAS Name: (10R)-10-(1-methyl-4-piperidin-1-iumyl)-5H-thieno[2,3-c][2]benzothiepin-10-ol IUPAC Name: (10R)-10-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ol Traditional Name: (10R)-10-(1-methylpiperidin-1-ium-4-yl)-5H-thieno[2,3-c][2]benzothiepin-10-ol Formula: C18H22NOS2+ MolecularWeight: 332.50338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2(C3=C(SCC4=CC=CC=C42)SC=C3)O

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@]2(C3=C(SCC4=CC=CC=C42)SC=C3)O

InChI

InChI=1S/C18H21NOS2/c1-19-9-6-14(7-10-19)18(20)15-5-3-2-4-13(15)12-22-17-16(18)8-11-21-17/h2-5,8,11,14,20H,6-7,9-10,12H2,1H3/p+1/t18-/m1/s1