2-(1,5-diphenylimidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1,5-diphenylimidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1,5-diphenylimidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1,5-diphenyl-2-imidazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,5-diphenylimidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1,5-diphenylimidazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C26H26N5OS+ MolecularWeight: 456.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5OS/c32-25(30-17-15-29(16-18-30)24-13-7-8-14-27-24)20-33-26-28-19-23(21-9-3-1-4-10-21)31(26)22-11-5-2-6-12-22/h1-14,19H,15-18,20H2/p+1