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

Systemtic Name: 6-fluoranyl-N-[(4-methylphenyl)methyl]-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-6-fluoro-N-(p-tolylmethyl)quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine Traditional Name: (3-besyl-6-fluoro-quinolin-1-ium-4-yl)-(4-methylbenzyl)amine Formula: C23H20FN2O2S+ MolecularWeight: 407.480503

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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=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O2S/c1-16-7-9-17(10-8-16)14-26-23-20-13-18(24)11-12-21(20)25-15-22(23)29(27,28)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,25,26)/p+1