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

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-amine Openeye Name: N-[(4-fluorophenyl)methyl]-3-(p-tolylsulfonyl)quinolin-1-ium-4-amine CAS Name: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumamine IUPAC Name: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: (4-fluorobenzyl)-(3-tosylquinolin-1-ium-4-yl)amine Formula: C23H20FN2O2S+ MolecularWeight: 407.480503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)F

InChI

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