4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(3-fluoroanilino)-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C19H22FN4O2+ MolecularWeight: 357.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21FN4O2/c20-15-5-4-8-17(13-15)21-18(25)14-23-9-11-24(12-10-23)19(26)22-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,25)(H,22,26)/p+1