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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2NCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2NCC4=CC=C(C=C4)F)C

InChI

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