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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-methyl-piperonyl-ammonium Formula: C16H16N3O3S+ MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C16H15N3O3S/c1-19(7-10-2-3-12-13(6-10)22-9-21-12)8-14-17-11-4-5-23-15(11)16(20)18-14/h2-6H,7-9H2,1H3,(H,17,18,20)/p+1