N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN4O2/c1-2-30-22-11-6-5-10-21(22)27-16-14-26(15-17-27)18-23(29)28(13-7-12-25)20-9-4-3-8-19(20)24/h3-6,8-11H,2,7,13-18H2,1H3/p+1