N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C18H24ClFN4O2S+2 MolecularWeight: 414.925163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H22ClFN4O2S/c1-22-8-10-24(11-9-22)27(25,26)14-6-7-18(21-12-14)23(2)13-15-16(19)4-3-5-17(15)20/h3-7,12H,8-11,13H2,1-2H3/p+2