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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O2/c1-29-21-6-3-2-5-20(21)27(12-4-11-24)22(28)17-25-13-15-26(16-14-25)19-9-7-18(23)8-10-19/h2-3,5-10H,4,12-17H2,1H3/p+1