2-[2-(4-fluorophenyl)-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal dihydrate hydrochloride

Systemtic Name: 2-[2-(4-fluorophenyl)-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal dihydrate hydrochloride Openeye Name: 2-[2-(4-fluorophenyl)-3-methyl-1-oxo-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde dihydrate hydrochloride CAS Name: 2-[2-(4-fluorophenyl)-3-methyl-1-oxo-3-(4-piperidinyl)-4-isoindolyl]acetaldehyde dihydrate hydrochloride IUPAC Name: 2-[2-(4-fluorophenyl)-3-methyl-1-oxo-3-piperidin-4-ylisoindol-4-yl]acetaldehyde dihydrate hydrochloride Traditional Name: 2-[2-(4-fluorophenyl)-1-keto-3-methyl-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde dihydrate hydrochloride Formula: C22H28ClFN2O4 MolecularWeight: 438.920123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=C(C=C3)F)C4CCNCC4.O.O.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=C(C=C3)F)C4CCNCC4.O.O.Cl

InChI

InChI=1S/C22H23FN2O2.ClH.2H2O/c1-22(16-9-12-24-13-10-16)20-15(11-14-26)3-2-4-19(20)21(27)25(22)18-7-5-17(23)6-8-18;;;/h2-8,14,16,24H,9-13H2,1H3;1H;2*1H2