4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-dione CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)-2-[(1R)-1-(2-thiazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-quinone Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CCCC5

Isomeric SMILES

C[C@H](C1=NC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C22H26N4O2S/c1-15(20-23-9-14-29-20)26-21(27)17-7-4-8-18(19(17)22(26)28)25-12-10-24(11-13-25)16-5-2-3-6-16/h4,7-9,14-16H,2-3,5-6,10-13H2,1H3/p+1/t15-/m1/s1