1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C23H29N2O2+ MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-19(26)21-10-11-23(27-2)22(17-21)18-25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-11,17H,12-16,18H2,1-2H3/p+1/b9-6+