3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C19H28N4O2S+2 MolecularWeight: 376.51622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H26N4O2S/c1-16-6-7-18(15-17(16)2)26(24,25)21-9-10-22-11-13-23(14-12-22)19-5-3-4-8-20-19/h3-8,15,21H,9-14H2,1-2H3/p+2