4-[2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]ethoxy]benzonitrile Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2/c21-19-4-2-1-3-18(19)20(25)24-11-9-23(10-12-24)13-14-26-17-7-5-16(15-22)6-8-17/h1-8H,9-14H2/p+1