N-ethyl-6-[(3-fluorophenyl)methyl-methyl-amino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[(3-fluorophenyl)methyl-methyl-amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[(3-fluorophenyl)methyl-methyl-amino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[(3-fluorophenyl)methyl-methylamino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[(3-fluorophenyl)methyl-methylamino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[(3-fluorobenzyl)-methyl-amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-3-25(19-10-5-4-6-11-19)28(26,27)20-12-13-21(23-15-20)24(2)16-17-8-7-9-18(22)14-17/h4-15H,3,16H2,1-2H3/p+1