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4-nitro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)isoindole-1,3-dione
4-nitro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)isoindole-1,3-dione
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Descriptors Computed from Structure
Canonical SMILES:
C1C[NH+](CC2=C1SC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]
Isomeric SMILES
C1C[NH+](CC2=C1SC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O4S/c20-15-11-2-1-3-12(19(22)23)14(11)16(21)18(15)9-17-6-4-13-10(8-17)5-7-24-13/h1-3,5,7H,4,6,8-9H2/p+1
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