N-(3-fluoranyl-4-methyl-phenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-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:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCC3)F

InChI

InChI=1S/C18H25FN4OS/c1-14-4-5-15(12-16(14)19)20-18(25)23-10-8-21(9-11-23)13-17(24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,25)/p+1