3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluoro-benzonitrile CAS Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluorobenzonitrile IUPAC Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluorobenzonitrile Traditional Name: 3-(1,4-diazepan-1-ium-1-ylmethyl)-4-fluoro-benzonitrile Formula: C13H17FN3+ MolecularWeight: 234.292583

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C13H16FN3/c14-13-3-2-11(9-15)8-12(13)10-17-6-1-4-16-5-7-17/h2-3,8,16H,1,4-7,10H2/p+1