4-(2-cyanoethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-cyanoethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-cyanoethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(2-cyanoethyl)-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-cyanoethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-cyanoethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C14H18FN4O+ MolecularWeight: 277.317323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H17FN4O/c15-12-2-4-13(5-3-12)17-14(20)19-10-8-18(9-11-19)7-1-6-16/h2-5H,1,7-11H2,(H,17,20)/p+1