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

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-dione CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-2-[(1R)-1-(2-thiazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-quinone Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

C[C@H](C1=NC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C23H28N4O2S/c1-16(21-24-10-15-30-21)27-22(28)18-8-5-9-19(20(18)23(27)29)26-13-11-25(12-14-26)17-6-3-2-4-7-17/h5,8-10,15-17H,2-4,6-7,11-14H2,1H3/p+1/t16-/m1/s1