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

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23FN4O2/c21-17-6-8-18(9-7-17)23-19(26)15-24-10-12-25(13-11-24)20(27)22-14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,27)(H,23,26)/p+1