3,6-bis(azanyl)-2-(1,3-benzodioxol-5-ylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(1,3-benzodioxol-5-ylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(1,3-benzodioxole-5-carbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[1,3-benzodioxol-5-yl(oxo)methyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(1,3-benzodioxole-5-carbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-piperonyloyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C16H11N4O3S+ MolecularWeight: 339.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

InChI

InChI=1S/C16H10N4O3S/c17-5-8-3-9-12(18)14(24-16(9)20-15(8)19)13(21)7-1-2-10-11(4-7)23-6-22-10/h1-4H,6,18H2,(H2,19,20)/p+1