4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C20H30FN4O2S+ MolecularWeight: 409.541203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3)F

InChI

InChI=1S/C20H29FN4O2S/c1-16(26)17-3-4-19(18(21)15-17)24-7-9-25(10-8-24)20(28)22-5-2-6-23-11-13-27-14-12-23/h3-4,15H,2,5-14H2,1H3,(H,22,28)/p+1