N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3/c1-2-29-18-9-7-17(8-10-18)16-25-11-13-26(14-12-25)21(27)15-24-22(28)19-5-3-4-6-20(19)23/h3-10H,2,11-16H2,1H3,(H,24,28)/p+1