(4-fluorophenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: (4-fluorophenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium Openeye Name: (4-fluorophenyl)methyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium CAS Name: (4-fluorophenyl)methyl-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1-pyridinyl]methyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidenepyridin-1-yl)methyl]azanium Traditional Name: (4-fluorobenzyl)-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)F)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)F)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22FN3O3S2/c1-20(12-15-2-4-16(19)5-3-15)14-21-13-17(6-7-18(21)26)27(23,24)22-8-10-25-11-9-22/h2-7,13H,8-12,14H2,1H3/p+1