2-(3-piperidin-1-ium-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 2-(3-piperidin-1-ium-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 2-(3-piperidin-1-ium-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 2-[3-(1-piperidin-1-iumyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 2-(3-piperidin-1-ium-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 2-(3-piperidin-1-ium-1-ylpropoxy)-6H-benzo[b][1]benzothiepin-5-one Formula: C22H26NO2S+ MolecularWeight: 368.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3

InChI

InChI=1S/C22H25NO2S/c24-20-15-17-7-2-3-8-21(17)26-22-16-18(9-10-19(20)22)25-14-6-13-23-11-4-1-5-12-23/h2-3,7-10,16H,1,4-6,11-15H2/p+1