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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-piperonyl-ammonium Formula: C22H20N3O3S+ MolecularWeight: 406.4775

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H19N3O3S/c1-25(10-14-7-8-17-18(9-14)28-13-27-17)11-19-23-21(26)20-16(12-29-22(20)24-19)15-5-3-2-4-6-15/h2-9,12H,10-11,13H2,1H3,(H,23,24,26)/p+1