6-fluoranyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine

Systemtic Name: 6-fluoranyl-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine Openeye Name: 6-fluoro-N-(p-tolylmethyl)-3-(p-tolylsulfonyl)quinolin-1-ium-4-amine CAS Name: 6-fluoro-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumamine IUPAC Name: 6-fluoro-N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: (6-fluoro-3-tosyl-quinolin-1-ium-4-yl)-(4-methylbenzyl)amine Formula: C24H22FN2O2S+ MolecularWeight: 421.507083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)F

InChI

InChI=1S/C24H21FN2O2S/c1-16-3-7-18(8-4-16)14-27-24-21-13-19(25)9-12-22(21)26-15-23(24)30(28,29)20-10-5-17(2)6-11-20/h3-13,15H,14H2,1-2H3,(H,26,27)/p+1