N-[(4-fluorophenyl)methyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C18H26FN4O2S+ MolecularWeight: 381.488043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN4O2S/c19-16-3-1-15(2-4-16)13-20-18(26)23-7-5-21(6-8-23)14-17(24)22-9-11-25-12-10-22/h1-4H,5-14H2,(H,20,26)/p+1