5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(furan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(furan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-furylmethyl)isoindoline-1,3-dione CAS Name: 5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(2-furanylmethyl)isoindole-1,3-dione IUPAC Name: 5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-furfuryl)isoindoline-1,3-quinone Formula: C23H21ClN3O4S+ MolecularWeight: 470.94854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

InChI

InChI=1S/C23H20ClN3O4S/c24-20-6-4-17(32-20)14-25-7-9-26(10-8-25)21(28)15-3-5-18-19(12-15)23(30)27(22(18)29)13-16-2-1-11-31-16/h1-6,11-12H,7-10,13-14H2/p+1