N-(2,5-diethoxyphenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O4+ MolecularWeight: 430.492463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4/c1-3-30-17-9-10-21(31-4-2)20(15-17)25-22(28)16-26-11-13-27(14-12-26)23(29)18-7-5-6-8-19(18)24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,28)/p+1