4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanethioamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanethioamide Traditional Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C14H21FN3S+ MolecularWeight: 282.400043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=S)N)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=S)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H20FN3S/c15-12-3-5-13(6-4-12)18-10-8-17(9-11-18)7-1-2-14(16)19/h3-6H,1-2,7-11H2,(H2,16,19)/p+1