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

Systemtic Name: N-[(4-fluorophenyl)methyl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6-methyl-quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6-methylquinolin-1-ium-4-amine Traditional Name: (3-besyl-6-methyl-quinolin-1-ium-4-yl)-(4-fluorobenzyl)amine Formula: C23H20FN2O2S+ MolecularWeight: 407.480503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=C(C=C4)F

InChI

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