2-[(6-chloranyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(6-chloranyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H18ClN6OS+ MolecularWeight: 389.88242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl

InChI

InChI=1S/C17H17ClN6OS/c18-12-9-13-16(20-10-12)22-17(21-13)26-11-15(25)24-7-5-23(6-8-24)14-3-1-2-4-19-14/h1-4,9-10H,5-8,11H2,(H,20,21,22)/p+1