2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H21N3O3S/c27-21-17-6-1-4-16-5-2-7-18(20(16)17)22(28)26(21)14-11-24-9-12-25(13-10-24)23(29)19-8-3-15-30-19/h1-8,15H,9-14H2/p+1