2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19N3O3S/c23-17(12-22-18(24)15-3-1-2-4-16(15)19(22)25)21-8-6-20(7-9-21)11-14-5-10-26-13-14/h1-5,10,13H,6-9,11-12H2/p+1