1-(2-piperidin-1-ium-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 1-(2-piperidin-1-ium-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 1-[2-(1-piperidin-1-iumyl)ethoxy]-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 1-(2-piperidin-1-ium-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 1-(2-piperidin-1-ium-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one Formula: C21H24NO2S+ MolecularWeight: 354.48576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O

InChI

InChI=1S/C21H23NO2S/c23-18-15-16-7-2-3-10-20(16)25-21-17(18)8-6-9-19(21)24-14-13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-15H2/p+1