1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C20H23ClFN2O2+ MolecularWeight: 377.860223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O2/c1-26-16-7-5-15(6-8-16)13-24-12-11-23(10-9-20(24)25)14-17-18(21)3-2-4-19(17)22/h2-8H,9-14H2,1H3/p+1