4-fluoranyl-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-fluoro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 4-fluoro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-fluoro-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Formula: C14H19FN3+ MolecularWeight: 248.319163

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C14H18FN3/c1-17-5-2-6-18(8-7-17)11-13-9-12(10-16)3-4-14(13)15/h3-4,9H,2,5-8,11H2,1H3/p+1