2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(3,4-difluorophenyl)thio]-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3,4-difluorophenyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C20H23F2N2O2S+ MolecularWeight: 393.470626

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O2S/c21-18-6-5-17(11-19(18)22)27-14-20(25)23-12-15-1-3-16(4-2-15)13-24-7-9-26-10-8-24/h1-6,11H,7-10,12-14H2,(H,23,25)/p+1