4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-chloroanilino)-2-oxo-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H21ClFN4O2+ MolecularWeight: 391.847043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20ClFN4O2/c20-16-3-1-2-4-17(16)23-18(26)13-24-9-11-25(12-10-24)19(27)22-15-7-5-14(21)6-8-15/h1-8H,9-13H2,(H,22,27)(H,23,26)/p+1