4-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-phenyl-butan-1-one CAS Name: 4-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-phenyl-butan-1-one Formula: C23H29N2O+ MolecularWeight: 349.48916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O/c26-23(15-7-13-21-9-3-1-4-10-21)25-19-17-24(18-20-25)16-8-14-22-11-5-2-6-12-22/h1-6,8-12,14H,7,13,15-20H2/p+1/b14-8+