(2S)-N,N-dimethyl-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-2-phenyl-acetamide Formula: C23H31N3O+2 MolecularWeight: 365.51174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-24(2)23(27)22(21-13-7-4-8-14-21)26-18-16-25(17-19-26)15-9-12-20-10-5-3-6-11-20/h3-14,22H,15-19H2,1-2H3/p+2/b12-9+/t22-/m0/s1