4-[1-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-1-ium-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-1-ium-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]-1-piperidin-1-iumyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-1-ium-1-yl]hexyl]-2-methyl-benzonitrile Formula: C27H36FN2O+ MolecularWeight: 423.585943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)[N+]2(CCCCC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)[N+]2(CCCCC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C27H36FN2O/c1-3-4-6-9-27(23-10-11-24(21-29)22(2)20-23)30(16-7-5-8-17-30)18-19-31-26-14-12-25(28)13-15-26/h10-15,20,27H,3-9,16-19H2,1-2H3/q+1