6-fluoranyl-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine

Systemtic Name: 6-fluoranyl-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine Openeye Name: 6-fluoro-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine CAS Name: 6-fluoro-2-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-quinolin-1-iumamine IUPAC Name: 6-fluoro-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine Traditional Name: (6-fluoro-2-methyl-quinolin-1-ium-4-yl)-(4-pyrrolidinosulfonylphenyl)amine Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20FN3O2S/c1-14-12-20(18-13-15(21)4-9-19(18)22-14)23-16-5-7-17(8-6-16)27(25,26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23)/p+1