N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; propanal

Systemtic Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; propanal Openeye Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; propanal CAS Name: N,N-diethyl-3-bicyclo[2.2.2]octa-1,3,5,7-tetraenamine; propanal IUPAC Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; propanal Traditional Name: 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl(diethyl)amine; propionaldehyde Formula: C15H21NO MolecularWeight: 231.33334

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Descriptors Computed from Structure

Canonical SMILES:

CCC=O.CCN(CC)C1=C2C=CC(=C1)C=C2

Isomeric SMILES

CCC=O.CCN(CC)C1=C2C=CC(=C1)C=C2

InChI

InChI=1S/C12H15N.C3H6O/c1-3-13(4-2)12-9-10-5-7-11(12)8-6-10;1-2-3-4/h5-9H,3-4H2,1-2H3;3H,2H2,1H3