4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-3-fluoro-benzonitrile CAS Name: 4-(1-azepan-1-iumylmethyl)-3-fluorobenzonitrile IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-3-fluorobenzonitrile Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-3-fluoro-benzonitrile Formula: C14H18FN2+ MolecularWeight: 233.304523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C14H17FN2/c15-14-9-12(10-16)5-6-13(14)11-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,11H2/p+1