2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N3O3S/c1-3-18-10-9-17(2)22(15-18)16-20(24)21-11-13-23(14-12-21)27(25,26)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16H2,1-2H3/q+1