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

Systemtic Name: 2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N4O2S/c28-22-19-8-4-5-9-20(19)23(29)27(22)16-26-12-10-25(11-13-26)14-18-15-30-21(24-18)17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/p+1