1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(4-fluorophenyl)methanone Formula: C12H16FN2O+ MolecularWeight: 223.266643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H15FN2O/c13-11-4-2-10(3-5-11)12(16)15-8-1-6-14-7-9-15/h2-5,14H,1,6-9H2/p+1