(4-acetamidophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]azanium Openeye Name: (4-acetamidophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[2-[(2-fluorophenyl)methylthio]ethyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]azanium Traditional Name: (4-acetamidobenzyl)-[2-[(2-fluorobenzyl)thio]ethyl]ammonium Formula: C18H22FN2OS+ MolecularWeight: 333.443483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCSCC2=CC=CC=C2F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+]CCSCC2=CC=CC=C2F

InChI

InChI=1S/C18H21FN2OS/c1-14(22)21-17-8-6-15(7-9-17)12-20-10-11-23-13-16-4-2-3-5-18(16)19/h2-9,20H,10-13H2,1H3,(H,21,22)/p+1