4-(4-fluorophenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Openeye Name: 4-(4-fluorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperidinecarbothioamide IUPAC Name: 4-(4-fluorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Traditional Name: 4-(4-fluorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Formula: C20H29FN3O2S+ MolecularWeight: 394.526563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H28FN3O2S/c21-18-4-2-16(3-5-18)19(25)17-6-10-24(11-7-17)20(27)22-8-1-9-23-12-14-26-15-13-23/h2-5,17H,1,6-15H2,(H,22,27)/p+1