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

Systemtic Name: 2-[4-[2-[(6-chloranyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H24ClN6O2S+ MolecularWeight: 423.94016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=NC=C(C=C4N3)Cl

InChI

InChI=1S/C18H23ClN6O2S/c19-13-9-14-17(20-10-13)22-18(21-14)28-12-16(27)25-7-5-23(6-8-25)11-15(26)24-3-1-2-4-24/h9-10H,1-8,11-12H2,(H,20,21,22)/p+1