(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-imidazolidin-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-3-(piperidin-1-ium-1-ylmethyl)-5-piperonylidene-2-thioxo-4-imidazolidinone Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)NC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/NC2=S

InChI

InChI=1S/C17H19N3O3S/c21-16-13(8-12-4-5-14-15(9-12)23-11-22-14)18-17(24)20(16)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10-11H2,(H,18,24)/p+1/b13-8+