2-(4-fluorophenyl)sulfanylethyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(4-fluorophenyl)sulfanylethyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(4-fluorophenyl)sulfanylethyl-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 2-[(4-fluorophenyl)thio]ethyl-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 2-(4-fluorophenyl)sulfanylethyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: 2-[(4-fluorophenyl)thio]ethyl-[2-keto-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCSC1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

C[NH+](CCSC1=CC=C(C=C1)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H26FN3O2S/c1-24(12-15-28-20-8-2-17(22)3-9-20)16-21(26)23-18-4-6-19(7-5-18)25-10-13-27-14-11-25/h2-9H,10-16H2,1H3,(H,23,26)/p+1