1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN3O3S/c1-2-3-17-8-10-22(11-9-17)16-20(25)23-12-14-24(15-13-23)28(26,27)19-6-4-18(21)5-7-19/h4-11H,2-3,12-16H2,1H3/q+1