2-[2-[4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[4-(1-naphthyl)thiazol-2-yl]piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[4-(1-naphthalenyl)-2-thiazolyl]-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[4-(1-naphthyl)thiazol-2-yl]piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C27H25N4O2S+ MolecularWeight: 469.578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H24N4O2S/c32-25-22-9-3-4-10-23(22)26(33)31(25)17-14-29-12-15-30(16-13-29)27-28-24(18-34-27)21-11-5-7-19-6-1-2-8-20(19)21/h1-11,18H,12-17H2/p+1