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

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-imidazolidin-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-morpholin-4-iumylmethyl)-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-3-(morpholin-4-ium-4-ylmethyl)-5-piperonylidene-2-thioxo-4-imidazolidinone Formula: C16H18N3O4S+ MolecularWeight: 348.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)NC2=S

Isomeric SMILES

C1COCC[NH+]1CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/NC2=S

InChI

InChI=1S/C16H17N3O4S/c20-15-12(7-11-1-2-13-14(8-11)23-10-22-13)17-16(24)19(15)9-18-3-5-21-6-4-18/h1-2,7-8H,3-6,9-10H2,(H,17,24)/p+1/b12-7+