(5E)-5-[(3-nitrophenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[(3-nitrophenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[(3-nitrophenyl)methylene]-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[(3-nitrophenyl)methylidene]-3-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[(3-nitrophenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-(3-nitrobenzylidene)-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-thiazolidin-4-one Formula: C16H18N3O3S2+ MolecularWeight: 364.46242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C16H17N3O3S2/c20-15-14(10-12-5-4-6-13(9-12)19(21)22)24-16(23)18(15)11-17-7-2-1-3-8-17/h4-6,9-10H,1-3,7-8,11H2/p+1/b14-10+