4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one hydrate dihydrochloride

Systemtic Name: 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one hydrate dihydrochloride Openeye Name: 4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-thioxanthen-2-yl]butan-1-one hydrate dihydrochloride CAS Name: 1-[7-[1-oxo-4-(1-piperidinyl)butyl]-9H-thioxanthen-2-yl]-4-(1-piperidinyl)-1-butanone hydrate dihydrochloride IUPAC Name: 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one hydrate dihydrochloride Traditional Name: 4-piperidino-1-[7-(4-piperidinobutanoyl)-9H-thioxanthen-2-yl]butan-1-one hydrate dihydrochloride Formula: C31H44Cl2N2O3S MolecularWeight: 595.66366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCN5CCCCC5.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCN5CCCCC5.O.Cl.Cl

InChI

InChI=1S/C31H40N2O2S.2ClH.H2O/c34-28(9-7-19-32-15-3-1-4-16-32)24-11-13-30-26(21-24)23-27-22-25(12-14-31(27)36-30)29(35)10-8-20-33-17-5-2-6-18-33;;;/h11-14,21-22H,1-10,15-20,23H2;2*1H;1H2