4-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-fluorobenzyl)-1-o-anisyl-1,4-diazepan-1-ium-5-one Formula: C20H24FN2O2+ MolecularWeight: 343.415163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CC3=CC=CC=C3F

InChI

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