1,3-benzodioxol-5-ylmethyl-[(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: (6-acetyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-piperonyl-ammonium Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C19H19N3O4S/c1-10-16-18(24)20-15(21-19(16)27-17(10)11(2)23)8-22(3)7-12-4-5-13-14(6-12)26-9-25-13/h4-6H,7-9H2,1-3H3,(H,20,21,24)/p+1