2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[(2-fluoroanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22FN5O2/c22-18-3-1-2-4-19(18)24-21(29)25-20(28)15-27-11-9-26(10-12-27)14-17-7-5-16(13-23)6-8-17/h1-8H,9-12,14-15H2,(H2,24,25,28,29)/p+1