4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C27H28N3O2S+ MolecularWeight: 458.59512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-20(24-13-7-19-33-24)30-26(31)22-11-5-12-23(25(22)27(30)32)29-17-15-28(16-18-29)14-6-10-21-8-3-2-4-9-21/h2-13,19-20H,14-18H2,1H3/p+1/b10-6+/t20-/m1/s1