(2S)-2-(1,3-diphenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazolidin-4-one

Systemtic Name: (2S)-2-(1,3-diphenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazolidin-4-one Openeye Name: (2S)-2-(1,3-diphenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiazolidin-4-one CAS Name: (2S)-2-(1,3-diphenyl-4-pyrazolyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolidinone IUPAC Name: (2S)-2-(1,3-diphenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazolidin-4-one Traditional Name: (2S)-2-(1,3-diphenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiazolidin-4-one Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(SCC2=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCN2[C@@H](SCC2=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2S/c30-23-19-32-25(28(23)13-7-12-27-14-16-31-17-15-27)22-18-29(21-10-5-2-6-11-21)26-24(22)20-8-3-1-4-9-20/h1-6,8-11,18,25H,7,12-17,19H2/p+1/t25-/m0/s1