2-[4-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]nicotinoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O2S/c23-17-5-7-18(8-6-17)30-21-19(4-3-9-24-21)22(29)27-14-12-25(13-15-27)16-20(28)26-10-1-2-11-26/h3-9H,1-2,10-16H2/p+1