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

Systemtic Name: (2R,5S)-2-(2-methoxyphenyl)-5-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Openeye Name: (2R,5S)-2-(2-methoxyphenyl)-5-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one CAS Name: (2R,5S)-2-(2-methoxyphenyl)-5-methyl-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-4-thiazolidinone IUPAC Name: (2R,5S)-2-(2-methoxyphenyl)-5-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one Traditional Name: (2R,5S)-2-(2-methoxyphenyl)-5-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)thiazolidin-4-one Formula: C17H27N3O2S+2 MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(S1)C2=CC=CC=C2OC)CC[NH+]3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1C(=O)N([C@H](S1)C2=CC=CC=C2OC)CC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O2S/c1-13-16(21)20(12-11-19-9-7-18-8-10-19)17(23-13)14-5-3-4-6-15(14)22-2/h3-6,13,17-18H,7-12H2,1-2H3/p+2/t13-,17+/m0/s1