4-butyl-1-(3-ethoxypyridin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 4-butyl-1-(3-ethoxypyridin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium Openeye Name: 4-butyl-1-(3-ethoxy-2-pyridyl)-1-(4-fluorophenyl)piperazin-1-ium CAS Name: 4-butyl-1-(3-ethoxy-2-pyridinyl)-1-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 4-butyl-1-(3-ethoxypyridin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium Traditional Name: 4-butyl-1-(3-ethoxy-2-pyridyl)-1-(4-fluorophenyl)piperazin-1-ium Formula: C21H29FN3O+ MolecularWeight: 358.472863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](CC1)(C2=CC=C(C=C2)F)C3=C(C=CC=N3)OCC

Isomeric SMILES

CCCCN1CC[N+](CC1)(C2=CC=C(C=C2)F)C3=C(C=CC=N3)OCC

InChI

InChI=1S/C21H29FN3O/c1-3-5-13-24-14-16-25(17-15-24,19-10-8-18(22)9-11-19)21-20(26-4-2)7-6-12-23-21/h6-12H,3-5,13-17H2,1-2H3/q+1