(2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one

Systemtic Name: (2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Openeye Name: (2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one CAS Name: (2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-4-thiazolidinone IUPAC Name: (2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Traditional Name: (2R,5S)-2-(4-tert-butylphenyl)-5-ethyl-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one Formula: C21H35N3OS+2 MolecularWeight: 377.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(S1)C2=CC=C(C=C2)C(C)(C)C)CC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC[C@H]1C(=O)N([C@H](S1)C2=CC=C(C=C2)C(C)(C)C)CC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C21H33N3OS/c1-5-18-19(25)24(15-14-23-12-10-22-11-13-23)20(26-18)16-6-8-17(9-7-16)21(2,3)4/h6-9,18,20,22H,5,10-15H2,1-4H3/p+2/t18-,20+/m0/s1