dimethyl (2S,4S)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1,3-thiazolidine-2,4-dicarboxylate

Systemtic Name: dimethyl (2S,4S)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1,3-thiazolidine-2,4-dicarboxylate Openeye Name: dimethyl (2S,4S)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]thiazolidine-2,4-dicarboxylate CAS Name: (2S,4S)-3-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]thiazolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,4S)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1,3-thiazolidine-2,4-dicarboxylate Traditional Name: (2S,4S)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]thiazolidine-2,4-dicarboxylic acid dimethyl ester Formula: C18H26N4O5S+2 MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSC(N1C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1CS[C@H](N1C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC

InChI

InChI=1S/C18H24N4O5S/c1-26-17(24)13-12-28-16(18(25)27-2)22(13)15(23)11-20-7-9-21(10-8-20)14-5-3-4-6-19-14/h3-6,13,16H,7-12H2,1-2H3/p+2/t13-,16+/m1/s1