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

Systemtic Name: (3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C19H23FN3OS+ MolecularWeight: 360.468823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+](CC2=CC=C(C=C2)F)C3CC3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+](CC2=CC=C(C=C2)F)C3CC3)C(=O)N)C

InChI

InChI=1S/C19H22FN3OS/c1-12-9-13(2)23(19(25)17(12)18(21)24)11-22(16-7-8-16)10-14-3-5-15(20)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3,(H2,21,24)/p+1