(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C19H22ClFN3O2S+ MolecularWeight: 410.913283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H21ClFN3O2S/c1-22(12-14-15(20)4-2-5-16(14)21)13-18(25)23-7-9-24(10-8-23)19(26)17-6-3-11-27-17/h2-6,11H,7-10,12-13H2,1H3/p+1