2-(3-phenylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3-phenyl-2-quinoxalinyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-phenylquinoxalin-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C25H24N5OS+ MolecularWeight: 442.55596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C25H23N5OS/c31-23(30-16-14-29(15-17-30)22-12-6-7-13-26-22)18-32-25-24(19-8-2-1-3-9-19)27-20-10-4-5-11-21(20)28-25/h1-13H,14-18H2/p+1