2-[1-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[2-(4-benzoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-[2-(4-benzoyl-1-pyridin-1-iumyl)ethyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[2-(4-benzoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[2-(4-benzoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C21H22N2O4S+2 MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC[N+]3=CC=C(C=C3)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC[N+]3=CC=C(C=C3)CCS(=O)(=O)O

InChI

InChI=1S/C21H21N2O4S/c24-21(19-4-2-1-3-5-19)20-8-13-23(14-9-20)16-15-22-11-6-18(7-12-22)10-17-28(25,26)27/h1-9,11-14H,10,15-17H2/q+1/p+1