2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O3S/c22-16-13-4-1-2-5-14(13)17(23)21(16)12-19-7-9-20(10-8-19)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2/p+1