N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H30FN4O2+ MolecularWeight: 413.508303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29FN4O2/c1-2-27(17-22(29)25-16-19-8-10-20(24)11-9-19)23(30)18-26-12-14-28(15-13-26)21-6-4-3-5-7-21/h3-11H,2,12-18H2,1H3,(H,25,29)/p+1