(2-bromanyl-4-fluoranyl-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C20H23BrFN2O2+ MolecularWeight: 422.311223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O2/c1-26-17-6-3-15(4-7-17)14-23-9-2-10-24(12-11-23)20(25)18-8-5-16(22)13-19(18)21/h3-8,13H,2,9-12,14H2,1H3/p+1