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

Systemtic Name: (2R,5S)-5-ethyl-2-(2-methylphenyl)-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Openeye Name: (2R,5S)-5-ethyl-2-(o-tolyl)-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one CAS Name: (2R,5S)-5-ethyl-2-(2-methylphenyl)-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-4-thiazolidinone IUPAC Name: (2R,5S)-5-ethyl-2-(2-methylphenyl)-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Traditional Name: (2R,5S)-5-ethyl-2-(o-tolyl)-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one Formula: C18H29N3OS+2 MolecularWeight: 335.50736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(S1)C2=CC=CC=C2C)CC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC[C@H]1C(=O)N([C@H](S1)C2=CC=CC=C2C)CC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3OS/c1-3-16-17(22)21(13-12-20-10-8-19-9-11-20)18(23-16)15-7-5-4-6-14(15)2/h4-7,16,18-19H,3,8-13H2,1-2H3/p+2/t16-,18+/m0/s1