4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C12H16FN2O+ MolecularWeight: 223.266643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1=O)CC2=CC(=CC=C2)F

Isomeric SMILES

C1C[NH2+]CCN(C1=O)CC2=CC(=CC=C2)F

InChI

InChI=1S/C12H15FN2O/c13-11-3-1-2-10(8-11)9-15-7-6-14-5-4-12(15)16/h1-3,8,14H,4-7,9H2/p+1