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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3-fluorobenzyl)-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O2/c1-25-19-7-5-16(6-8-19)15-23-12-11-22(10-9-20(23)24)14-17-3-2-4-18(21)13-17/h2-8,13H,9-12,14-15H2,1H3/p+1