3-[2-oxidanylidene-2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-oxo-2-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]ethyl]thiazolidine-2,4-dione IUPAC Name: 3-[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-keto-2-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]ethyl]thiazolidine-2,4-quinone Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)CSC2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C(=O)CSC2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4O3S/c25-18(14-24-19(26)15-28-20(24)27)23-8-4-7-17(13-23)22-11-9-21(10-12-22)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2/p+1/t17-/m0/s1