6-fluoranyl-N-(phenylmethyl)-3-(phenylsulfonyl)quinolin-1-ium-4-amine

Systemtic Name: 6-fluoranyl-N-(phenylmethyl)-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-N-benzyl-6-fluoro-quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-6-fluoro-N-(phenylmethyl)-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-N-benzyl-6-fluoroquinolin-1-ium-4-amine Traditional Name: benzyl-(3-besyl-6-fluoro-quinolin-1-ium-4-yl)amine Formula: C22H18FN2O2S+ MolecularWeight: 393.453923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O2S/c23-17-11-12-20-19(13-17)22(25-14-16-7-3-1-4-8-16)21(15-24-20)28(26,27)18-9-5-2-6-10-18/h1-13,15H,14H2,(H,24,25)/p+1