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

Systemtic Name: 1-(2-piperidin-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one hydrate hydrochloride Openeye Name: 1-[2-(1-piperidyl)ethoxy]-6H-benzo[b][1]benzothiepin-5-one hydrate hydrochloride CAS Name: 1-[2-(1-piperidinyl)ethoxy]-6H-benzo[b][1]benzothiepin-5-one hydrate hydrochloride IUPAC Name: 1-(2-piperidin-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one hydrate hydrochloride Traditional Name: 1-(2-piperidinoethoxy)-6H-benzo[b][1]benzothiepin-5-one hydrate hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O.O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=CC3=C2SC4=CC=CC=C4CC3=O.O.Cl

InChI

InChI=1S/C21H23NO2S.ClH.H2O/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;1H;1H2