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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=C(C=C4)F

InChI

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