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

Systemtic Name: 3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one CAS Name: 3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c25-22(14-13-21-10-5-2-6-11-21)24-18-16-23(17-19-24)15-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2/p+1/b12-7+