4-[(3-fluorophenyl)methyl]-1-[(2-oxidanylnaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-[(2-oxidanylnaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxy-1-naphthyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxy-1-naphthalenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxynaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-[(2-hydroxy-1-naphthyl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H24FN2O2+ MolecularWeight: 379.447263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C23H23FN2O2/c24-19-6-3-4-17(14-19)15-26-13-12-25(11-10-23(26)28)16-21-20-7-2-1-5-18(20)8-9-22(21)27/h1-9,14,27H,10-13,15-16H2/p+1