N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H24FN5O+2 MolecularWeight: 369.435863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=C(C=C2)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=C(C=C2)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H22FN5O/c21-17-5-7-18(8-6-17)26(11-3-9-22)20(27)16-24-12-14-25(15-13-24)19-4-1-2-10-23-19/h1-2,4-8,10H,3,11-16H2/p+2