(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=C(C=C2)F)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=C(C=C2)F)C(=O)N)C

InChI

InChI=1S/C17H20FN3OS/c1-11-8-12(2)21(17(23)15(11)16(19)22)10-20(3)9-13-4-6-14(18)7-5-13/h4-8H,9-10H2,1-3H3,(H2,19,22)/p+1