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

Systemtic Name: 4-(4-cycloheptylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-(4-cycloheptylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-dione CAS Name: 4-(4-cycloheptyl-1-piperazin-4-iumyl)-2-[(1R)-1-(2-thiazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-(4-cycloheptylpiperazin-4-ium-1-yl)-2-[(1R)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 4-(4-cycloheptylpiperazin-4-ium-1-yl)-2-[(1R)-1-thiazol-2-ylethyl]isoindoline-1,3-quinone Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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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)C5CCCCCC5

Isomeric SMILES

C[C@H](C1=NC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CCCCCC5

InChI

InChI=1S/C24H30N4O2S/c1-17(22-25-11-16-31-22)28-23(29)19-9-6-10-20(21(19)24(28)30)27-14-12-26(13-15-27)18-7-4-2-3-5-8-18/h6,9-11,16-18H,2-5,7-8,12-15H2,1H3/p+1/t17-/m1/s1