2-oxidanylidene-2-(4-piperidin-1-ylphenyl)ethanal hydrate

Systemtic Name: 2-oxidanylidene-2-(4-piperidin-1-ylphenyl)ethanal hydrate Openeye Name: 2-oxo-2-[4-(1-piperidyl)phenyl]acetaldehyde hydrate CAS Name: 2-oxo-2-[4-(1-piperidinyl)phenyl]acetaldehyde hydrate IUPAC Name: 2-oxo-2-(4-piperidin-1-ylphenyl)acetaldehyde hydrate Traditional Name: 2-keto-2-(4-piperidinophenyl)acetaldehyde hydrate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C(=O)C=O.O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C(=O)C=O.O

InChI

InChI=1S/C13H15NO2.H2O/c15-10-13(16)11-4-6-12(7-5-11)14-8-2-1-3-9-14;/h4-7,10H,1-3,8-9H2;1H2