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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(furan-3-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(3-furylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-(3-furanylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(furan-3-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(3-furfuryl)-1,4-diazepan-1-ium-5-one Formula: C17H20FN2O2+ MolecularWeight: 303.351303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=COC=C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=COC=C3

InChI

InChI=1S/C17H19FN2O2/c18-16-3-1-2-14(10-16)12-20-8-7-19(6-4-17(20)21)11-15-5-9-22-13-15/h1-3,5,9-10,13H,4,6-8,11-12H2/p+1