N-[(1R)-2,2-bis(chloranyl)-1-(3-fluoranyl-4-methyl-phenyl)ethyl]-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(1R)-2,2-bis(chloranyl)-1-(3-fluoranyl-4-methyl-phenyl)ethyl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(1R)-2,2-dichloro-1-(3-fluoro-4-methyl-phenyl)ethyl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(1R)-2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(1R)-2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(1R)-2,2-dichloro-1-(3-fluoro-4-methyl-phenyl)ethyl]-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C16H23Cl2FN3O+ MolecularWeight: 363.277723

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC(C2=CC(=C(C=C2)C)F)C(Cl)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@H](C2=CC(=C(C=C2)C)F)C(Cl)Cl

InChI

InChI=1S/C16H22Cl2FN3O/c1-3-21-6-8-22(9-7-21)16(23)20-14(15(17)18)12-5-4-11(2)13(19)10-12/h4-5,10,14-15H,3,6-9H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1