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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=C(C=C(C=C2)C#N)F

InChI

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