2-(4-pentan-3-ylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3O3S/c1-3-19(4-2)20-10-12-23(13-11-20)18-22(26)24-14-16-25(17-15-24)29(27,28)21-8-6-5-7-9-21/h5-13,19H,3-4,14-18H2,1-2H3/q+1