3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C20H27FN3O+ MolecularWeight: 344.446283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H26FN3O/c21-19-6-5-16(14-22)13-18(19)15-23-11-7-17(8-12-23)20(25)24-9-3-1-2-4-10-24/h5-6,13,17H,1-4,7-12,15H2/p+1