(3R)-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C27H36N4O2+2 MolecularWeight: 448.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c32-26(31-20-18-29(19-21-31)15-7-12-23-8-3-1-4-9-23)22-25-27(33)28-14-17-30(25)16-13-24-10-5-2-6-11-24/h1-12,25H,13-22H2,(H,28,33)/p+2/b12-7+/t25-/m1/s1