N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C25H30FN4O3S+ MolecularWeight: 485.594103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O3S/c26-19-7-9-20(10-8-19)27-23(31)18-34-22-6-2-1-5-21(22)25(33)30-15-13-28(14-16-30)17-24(32)29-11-3-4-12-29/h1-2,5-10H,3-4,11-18H2,(H,27,31)/p+1