(2S)-2-(4-tert-butylphenyl)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1,3-thiazolidin-4-one

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1,3-thiazolidin-4-one Openeye Name: (2S)-2-(4-tert-butylphenyl)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]thiazolidin-4-one CAS Name: (2S)-2-(4-tert-butylphenyl)-3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-4-thiazolidinone IUPAC Name: (2S)-2-(4-tert-butylphenyl)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,3-thiazolidin-4-one Traditional Name: (2S)-2-(4-tert-butylphenyl)-3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]thiazolidin-4-one Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2N(C(=O)CS2)CCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H31N3O2S/c1-21(2,3)17-7-5-16(6-8-17)20-24(19(26)15-27-20)10-9-18(25)23-13-11-22(4)12-14-23/h5-8,20H,9-15H2,1-4H3/p+1/t20-/m0/s1