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

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ium-4-ylmethyl)imidazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-methylsulfanyl-3-(morpholin-4-ium-4-ylmethyl)imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(methylthio)-3-(4-morpholin-4-iumylmethyl)-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ium-4-ylmethyl)imidazol-4-one Traditional Name: (5E)-2-(methylthio)-3-(morpholin-4-ium-4-ylmethyl)-5-piperonylidene-2-imidazolin-4-one Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C[NH+]4CCOCC4

Isomeric SMILES

CSC1=N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N1C[NH+]4CCOCC4

InChI

InChI=1S/C17H19N3O4S/c1-25-17-18-13(8-12-2-3-14-15(9-12)24-11-23-14)16(21)20(17)10-19-4-6-22-7-5-19/h2-3,8-9H,4-7,10-11H2,1H3/p+1/b13-8+