4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C22H29N2O+ MolecularWeight: 337.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)C=O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C22H28N2O/c1-17(2)20-6-8-21(9-7-20)18(3)23-12-14-24(15-13-23)22-10-4-19(16-25)5-11-22/h4-11,16-18H,12-15H2,1-3H3/p+1/t18-/m0/s1