[[4-fluoranyl-2-[(3-methoxyphenyl)methyl]phenyl]-dimethyl-azaniumyl]methanethioate

Systemtic Name: [[4-fluoranyl-2-[(3-methoxyphenyl)methyl]phenyl]-dimethyl-azaniumyl]methanethioate Openeye Name: [[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]-dimethyl-ammonio]methanethioate CAS Name: [[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]-dimethylammonio]methanethioate IUPAC Name: [[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]-dimethylazaniumyl]methanethioate Traditional Name: [(4-fluoro-2-m-anisyl-phenyl)-dimethyl-ammonio]thioformate Formula: C17H18FNO2S MolecularWeight: 319.393723

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C=C(C=C1)F)CC2=CC(=CC=C2)OC)C(=S)[O-]

Isomeric SMILES

C[N+](C)(C1=C(C=C(C=C1)F)CC2=CC(=CC=C2)OC)C(=S)[O-]

InChI

InChI=1S/C17H18FNO2S/c1-19(2,17(20)22)16-8-7-14(18)11-13(16)9-12-5-4-6-15(10-12)21-3/h4-8,10-11H,9H2,1-3H3