1-[4-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazino]phenyl]ethanone Formula: C22H30N5O3S+ MolecularWeight: 444.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29N5O3S/c1-18(28)19-3-5-20(6-4-19)25-11-13-26(14-12-25)22-8-7-21(17-23-22)31(29,30)27-15-9-24(2)10-16-27/h3-8,17H,9-16H2,1-2H3/p+1