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

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-(2-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C22H27FN4O2/c1-2-17-7-4-6-10-20(17)25-21(28)16-26-11-13-27(14-12-26)22(29)24-15-18-8-3-5-9-19(18)23/h3-10H,2,11-16H2,1H3,(H,24,29)(H,25,28)/p+1