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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C18H26FN4OS+ MolecularWeight: 365.488643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN4OS/c19-16-5-3-15(4-6-16)13-20-18(25)23-11-9-21(10-12-23)14-17(24)22-7-1-2-8-22/h3-6H,1-2,7-14H2,(H,20,25)/p+1