2-piperidin-1-yl-1-[7-(2-piperidin-1-ylethanoyl)-9H-xanthen-2-yl]ethanone heptahydrate tetrahydrochloride

Systemtic Name: 2-piperidin-1-yl-1-[7-(2-piperidin-1-ylethanoyl)-9H-xanthen-2-yl]ethanone heptahydrate tetrahydrochloride Openeye Name: 2-(1-piperidyl)-1-[7-[2-(1-piperidyl)acetyl]-9H-xanthen-2-yl]ethanone heptahydrate tetrahydrochloride CAS Name: 1-[7-[1-oxo-2-(1-piperidinyl)ethyl]-9H-xanthen-2-yl]-2-(1-piperidinyl)ethanone heptahydrate tetrahydrochloride IUPAC Name: 2-piperidin-1-yl-1-[7-(2-piperidin-1-ylacetyl)-9H-xanthen-2-yl]ethanone heptahydrate tetrahydrochloride Traditional Name: 2-piperidino-1-[7-(2-piperidinoacetyl)-9H-xanthen-2-yl]ethanone heptahydrate tetrahydrochloride Formula: C54H82Cl4N4O13 MolecularWeight: 1137.05988

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

Isomeric SMILES

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

InChI

InChI=1S/2C27H32N2O3.4ClH.7H2O/c2*30-24(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;;;;;;;;;;;/h2*7-10,15-16H,1-6,11-14,17-19H2;4*1H;7*1H2