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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: cyclopentyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-piperonyl-ammonium Formula: C26H26N3O3S+ MolecularWeight: 460.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C26H25N3O3S/c30-25-20-13-23(18-6-2-1-3-7-18)33-26(20)28-24(27-25)15-29(19-8-4-5-9-19)14-17-10-11-21-22(12-17)32-16-31-21/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2,(H,27,28,30)/p+1