4-[[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C20H21FN3O+ MolecularWeight: 338.398643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20FN3O/c21-19-8-6-18(7-9-19)20(25)24-11-1-10-23(12-13-24)15-17-4-2-16(14-22)3-5-17/h2-9H,1,10-13,15H2/p+1