2-piperidin-1-yl-1-[7-(2-piperidin-1-ylethanoyl)-9H-xanthen-2-yl]ethanone hydrate hydrochloride

Systemtic Name: 2-piperidin-1-yl-1-[7-(2-piperidin-1-ylethanoyl)-9H-xanthen-2-yl]ethanone hydrate hydrochloride Openeye Name: 2-(1-piperidyl)-1-[7-[2-(1-piperidyl)acetyl]-9H-xanthen-2-yl]ethanone hydrate hydrochloride CAS Name: 1-[7-[1-oxo-2-(1-piperidinyl)ethyl]-9H-xanthen-2-yl]-2-(1-piperidinyl)ethanone hydrate hydrochloride IUPAC Name: 2-piperidin-1-yl-1-[7-(2-piperidin-1-ylacetyl)-9H-xanthen-2-yl]ethanone hydrate hydrochloride Traditional Name: 2-piperidino-1-[7-(2-piperidinoacetyl)-9H-xanthen-2-yl]ethanone hydrate hydrochloride Formula: C27H35ClN2O4 MolecularWeight: 487.0308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)CN5CCCCC5.O.Cl

Isomeric SMILES

C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)CN5CCCCC5.O.Cl

InChI

InChI=1S/C27H32N2O3.ClH.H2O/c30-24(18-28-11-3-1-4-12-28)20-7-9-26-22(15-20)17-23-16-21(8-10-27(23)32-26)25(31)19-29-13-5-2-6-14-29;;/h7-10,15-16H,1-6,11-14,17-19H2;1H;1H2